N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide

C13H10N4O — CID 82117028

IUPACN-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
SMILESN#CC(NC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C13H10N4O/c14-7-12(10-3-1-5-15-8-10)17-13(18)11-4-2-6-16-9-11/h1-6,8-9,12H,(H,17,18)
InChIKeyQCGPNEVNYQYCQA-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.47
Rot. Bonds3

About N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide

N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 82117028) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID82117028
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
SMILESN#CC(NC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C13H10N4O/c14-7-12(10-3-1-5-15-8-10)17-13(18)11-4-2-6-16-9-11/h1-6,8-9,12H,(H,17,18)
InChIKeyQCGPNEVNYQYCQA-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylpyridine-3-carboxamide chloride
CID 20976730
2-(methylamino)-2-pyridin-3-ylacetonitrile
CID 43115040
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile
CID 121209893
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[2-oxo-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 166223531
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[cyano-(4-fluorophenyl)methyl]benzamide
CID 78631246

Frequently Asked Questions

What is the IUPAC name of N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide (CID 82117028) is N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide is N#CC(NC(=O)c1cccnc1)c1cccnc1.
What is the InChIKey of N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QCGPNEVNYQYCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-7-12(10-3-1-5-15-8-10)17-13(18)11-4-2-6-16-9-11/h1-6,8-9,12H,(H,17,18).
What are the key properties of N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide?
N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 82117028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).