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-

Technical Data

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:	82Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2