2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide

C12H10N4O — CID 115116163

IUPAC2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide
SMILESN#CCc1cc(C(=O)Nc2cc[nH]c2)ccn1
InChIInChI=1S/C12H10N4O/c13-4-1-10-7-9(2-6-15-10)12(17)16-11-3-5-14-8-11/h2-3,5-8,14H,1H2,(H,16,17)
InChIKeyJWCYKYXSLMUWCW-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.73
Rot. Bonds3

About 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide

2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide (PubChem CID 115116163) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide
PubChem CID115116163
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide
SMILESN#CCc1cc(C(=O)Nc2cc[nH]c2)ccn1
InChIInChI=1S/C12H10N4O/c13-4-1-10-7-9(2-6-15-10)12(17)16-11-3-5-14-8-11/h2-3,5-8,14H,1H2,(H,16,17)
InChIKeyJWCYKYXSLMUWCW-UHFFFAOYSA-N
XLogP1.73
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide
CID 115116257
2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116174
2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide
CID 115116253
2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide
CID 115160837
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
CID 114325839
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 114325497
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175
2-amino-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 62154464
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide (CID 115116163) is 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide is N#CCc1cc(C(=O)Nc2cc[nH]c2)ccn1.
What is the InChIKey of 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide?
The InChIKey is JWCYKYXSLMUWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-4-1-10-7-9(2-6-15-10)12(17)16-11-3-5-14-8-11/h2-3,5-8,14H,1H2,(H,16,17).
What are the key properties of 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide?
2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide has a molecular weight of 226.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115116163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).