N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide

C15H13N3O2 — CID 105063448

IUPACN-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H13N3O2/c1-20-14-10-17-9-7-13(14)15(19)18-12-4-2-11(3-5-12)6-8-16/h2-5,7,9-10H,6H2,1H3,(H,18,19)
InChIKeyRGDBAZQONXXAHL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.41
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide

N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide (PubChem CID 105063448) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide
PubChem CID105063448
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H13N3O2/c1-20-14-10-17-9-7-13(14)15(19)18-12-4-2-11(3-5-12)6-8-16/h2-5,7,9-10H,6H2,1H3,(H,18,19)
InChIKeyRGDBAZQONXXAHL-UHFFFAOYSA-N
XLogP2.41
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
N-(3-fluoro-4-hydroxyphenyl)-3-methoxypyridine-4-carboxamide
CID 105063689
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 78950821
N-(3-acetylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063564
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105064266
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828
ethane;4-ethyl-2-methoxy-N-pyridin-4-ylbenzamide
CID 167447261
N-[3-(2-aminoethoxy)phenyl]-3-methoxypyridine-4-carboxamide
CID 105062895
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide (CID 105063448) is N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide?
The InChIKey is RGDBAZQONXXAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-14-10-17-9-7-13(14)15(19)18-12-4-2-11(3-5-12)6-8-16/h2-5,7,9-10H,6H2,1H3,(H,18,19).
What are the key properties of N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide?
N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).