N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide

C13H10N4O — CID 140582866

IUPACN-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESN#Cc1cc(CNC(=O)c2ccncc2)ccn1
InChIInChI=1S/C13H10N4O/c14-8-12-7-10(1-6-16-12)9-17-13(18)11-2-4-15-5-3-11/h1-7H,9H2,(H,17,18)
InChIKeyCZRNBPMBAAUYBH-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.28
Rot. Bonds3

About N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide

N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 140582866) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID140582866
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESN#Cc1cc(CNC(=O)c2ccncc2)ccn1
InChIInChI=1S/C13H10N4O/c14-8-12-7-10(1-6-16-12)9-17-13(18)11-2-4-15-5-3-11/h1-7H,9H2,(H,17,18)
InChIKeyCZRNBPMBAAUYBH-UHFFFAOYSA-N
XLogP1.28
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyano-4-pyridinyl)methylcarbamic acid
CID 126744334
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide
CID 115115865
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)pyridine-4-carboxamide;hydrochloride
CID 110779703
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide (CID 140582866) is N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide is N#Cc1cc(CNC(=O)c2ccncc2)ccn1.
What is the InChIKey of N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is CZRNBPMBAAUYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-8-12-7-10(1-6-16-12)9-17-13(18)11-2-4-15-5-3-11/h1-7H,9H2,(H,17,18).
What are the key properties of N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide?
N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyano-4-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 140582866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).