N-benzylpyridine-3-carboxamide chloride

C13H12ClN2O- — CID 21204170

IUPACN-benzylpyridine-3-carboxamide chloride
SMILESO=C(NCc1ccccc1)c1cccnc1.[Cl-]
InChIInChI=1S/C13H12N2O.ClH/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H,15,16);1H/p-1
InChIKeyRQUUSZVOANPEBE-UHFFFAOYSA-M
MW247.71 g/mol
LogP-0.98
Rot. Bonds3

About N-benzylpyridine-3-carboxamide chloride

N-benzylpyridine-3-carboxamide chloride (PubChem CID 21204170) has the molecular formula C13H12ClN2O- and a molecular weight of 247.71 g/mol. Its IUPAC name is N-benzylpyridine-3-carboxamide chloride.

Molecular Properties

Compound NameN-benzylpyridine-3-carboxamide chloride
PubChem CID21204170
Molecular FormulaC13H12ClN2O-
Molecular Weight247.71 g/mol
Exact Mass247.06
IUPAC NameN-benzylpyridine-3-carboxamide chloride
SMILESO=C(NCc1ccccc1)c1cccnc1.[Cl-]
InChIInChI=1S/C13H12N2O.ClH/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H,15,16);1H/p-1
InChIKeyRQUUSZVOANPEBE-UHFFFAOYSA-M
XLogP-0.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
N-[2-[(N-benzyl-N'-methylcarbamimidoyl)amino]ethyl]pyridine-3-carboxamide
CID 110952536
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
N-[(3-iodophenyl)methyl]pyridine-3-carboxamide
CID 125490904
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-[(3-carbamothioylphenyl)methyl]pyridine-3-carboxamide
CID 62311611
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[(4-butan-2-ylphenyl)methyl]pyridine-3-carboxamide
CID 110780451

Frequently Asked Questions

What is the IUPAC name of N-benzylpyridine-3-carboxamide chloride?
The IUPAC name of N-benzylpyridine-3-carboxamide chloride (CID 21204170) is N-benzylpyridine-3-carboxamide chloride.
What is the SMILES notation for N-benzylpyridine-3-carboxamide chloride?
The canonical SMILES for N-benzylpyridine-3-carboxamide chloride is O=C(NCc1ccccc1)c1cccnc1.[Cl-].
What is the InChIKey of N-benzylpyridine-3-carboxamide chloride?
The InChIKey is RQUUSZVOANPEBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N2O.ClH/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H,15,16);1H/p-1.
What are the key properties of N-benzylpyridine-3-carboxamide chloride?
N-benzylpyridine-3-carboxamide chloride has a molecular weight of 247.71 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpyridine-3-carboxamide chloride is sourced from PubChem (CID 21204170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).