Methyl 4-(Nicotinamidomethyl)benzoate - CAS 554407-47-5
Catalog: |
BB029045 |
Product Name: |
Methyl 4-(Nicotinamidomethyl)benzoate |
CAS: |
554407-47-5 |
Synonyms: |
4-[[[oxo(3-pyridinyl)methyl]amino]methyl]benzoic acid methyl ester; methyl 4-[(pyridine-3-carbonylamino)methyl]benzoate |
IUPAC Name: | methyl 4-[(pyridine-3-carbonylamino)methyl]benzoate |
Description: | Methyl 4-(Nicotinamidomethyl)benzoate (CAS# 554407-47-5) is an antitumor agent. |
Molecular Weight: | 270.28 |
Molecular Formula: | C15H14N2O3 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CN=CC=C2 |
InChI: | InChI=1S/C15H14N2O3/c1-20-15(19)12-6-4-11(5-7-12)9-17-14(18)13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H,17,18) |
InChI Key: | OQTNVKCWFAMPFG-UHFFFAOYSA-N |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.10044231 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.10044231 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 68.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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