N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide

C14H13N3O2 — CID 108766189

IUPACN-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H13N3O2/c15-13(18)11-5-3-10(4-6-11)8-17-14(19)12-2-1-7-16-9-12/h1-7,9H,8H2,(H2,15,18)(H,17,19)
InChIKeyAYUSQGSOJRWEEX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.11
Rot. Bonds4

About N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide

N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 108766189) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
PubChem CID108766189
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H13N3O2/c15-13(18)11-5-3-10(4-6-11)8-17-14(19)12-2-1-7-16-9-12/h1-7,9H,8H2,(H2,15,18)(H,17,19)
InChIKeyAYUSQGSOJRWEEX-UHFFFAOYSA-N
XLogP1.11
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
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N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-[(3-carbamothioylphenyl)methyl]pyridine-3-carboxamide
CID 62311611
N-[4-[[(4-chlorobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925476
N-[[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]methyl]acetamide
CID 32688575
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide (CID 108766189) is N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide is NC(=O)c1ccc(CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is AYUSQGSOJRWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-13(18)11-5-3-10(4-6-11)8-17-14(19)12-2-1-7-16-9-12/h1-7,9H,8H2,(H2,15,18)(H,17,19).
What are the key properties of N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide?
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108766189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).