N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide

C15H15N3O2 — CID 46477958

IUPACN-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2ccccn2)c1
InChIInChI=1S/C15H15N3O2/c1-11(19)18-13-6-4-5-12(9-13)10-17-15(20)14-7-2-3-8-16-14/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyDXDQTVLTIAMBQA-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.97
Rot. Bonds4

About N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide

N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide (PubChem CID 46477958) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
PubChem CID46477958
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2ccccn2)c1
InChIInChI=1S/C15H15N3O2/c1-11(19)18-13-6-4-5-12(9-13)10-17-15(20)14-7-2-3-8-16-14/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyDXDQTVLTIAMBQA-UHFFFAOYSA-N
XLogP1.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide
CID 166190967
N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 167888632
N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 47067341
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
N-[3-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 110970438
N-[3-[[(pyrimidin-2-ylamino)carbamoylamino]methyl]phenyl]acetamide
CID 71893363
N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
CID 109279750
N-[(3,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 47024016

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide (CID 46477958) is N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide is CC(=O)Nc1cccc(CNC(=O)c2ccccn2)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is DXDQTVLTIAMBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(19)18-13-6-4-5-12(9-13)10-17-15(20)14-7-2-3-8-16-14/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide?
N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 46477958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).