6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide

C14H11N3O — CID 59717870

IUPAC6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(Cc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C14H11N3O/c15-8-11-3-1-10(2-4-11)7-13-6-5-12(9-17-13)14(16)18/h1-6,9H,7H2,(H2,16,18)
InChIKeySAQDNMXGAZESPU-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.64
Rot. Bonds3

About 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide

6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide (PubChem CID 59717870) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide
PubChem CID59717870
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(Cc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C14H11N3O/c15-8-11-3-1-10(2-4-11)7-13-6-5-12(9-17-13)14(16)18/h1-6,9H,7H2,(H2,16,18)
InChIKeySAQDNMXGAZESPU-UHFFFAOYSA-N
XLogP1.64
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methyl-2-pyridinyl)methyl]benzonitrile
CID 166687753
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
6-(methoxymethyl)pyridine-3-carboxamide
CID 23130505
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
4-[3-(4-cyanophenyl)propanoylamino]benzamide
CID 41484593
6-[[1-(cyclopropylamino)-2,3-dihydro-1H-inden-5-yl]methyl]pyridine-3-carboxamide
CID 11324266
4-(triazin-4-ylmethyl)benzonitrile
CID 175415870
6-benzylpyridine-3-carboxylic acid;1-(6-benzyl-3-pyridinyl)ethanone
CID 161401140
4-cyanobenzoyl bromide
CID 22321969
4-[2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-2-oxoethyl]benzonitrile
CID 159819083
3-[(4-cyanophenyl)methylamino]-4-fluorobenzamide
CID 43701025
4-[[5-[(dimethylamino)methyl]-2-pyridinyl]methoxy]benzamide
CID 141120481

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide (CID 59717870) is 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide is N#Cc1ccc(Cc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is SAQDNMXGAZESPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-8-11-3-1-10(2-4-11)7-13-6-5-12(9-17-13)14(16)18/h1-6,9H,7H2,(H2,16,18).
What are the key properties of 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide?
6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyanophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59717870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).