N-Butyl-2-hydroxy-9-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxamide - CAS 886913-14-0
Catalog: |
BB058837 |
Product Name: |
N-Butyl-2-hydroxy-9-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxamide |
CAS: |
886913-14-0 |
Synonyms: |
4H- Pyrido[1, 2- a] pyrimidine- 3- carboxamide, N- butyl- 2- hydroxy- 9- methyl- 4- oxo- |
IUPAC Name: | N-butyl-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide |
Description: | N-Butyl-2-hydroxy-9-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxamide is a non- hydrophobic compound used in treating metastasis. |
Molecular Weight: | 275.3 |
Molecular Formula: | C14H17N3O3 |
Canonical SMILES: | CCCCNC(=O)C1=C(N=C2C(=CC=CN2C1=O)C)O |
InChI: | InChI=1S/C14H17N3O3/c1-3-4-7-15-12(18)10-13(19)16-11-9(2)6-5-8-17(11)14(10)20/h5-6,8,19H,3-4,7H2,1-2H3,(H,15,18) |
InChI Key: | HWEJSQFNLUYFDC-UHFFFAOYSA-N |
References: | Bosserhoff, A., et al. PCT Int. Appl. WO 2016198256, 126, (2016). |
Complexity: | 570 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.12699141 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.12699141 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 82Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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