N-benzylpyridine-4-carboxamide;hydrochloride

C13H13ClN2O — CID 110755427

IUPACN-benzylpyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)c1ccncc1
InChIInChI=1S/C13H12N2O.ClH/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10H2,(H,15,16);1H
InChIKeyNUHQLTXQMBRBKN-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.43
Rot. Bonds3

About N-benzylpyridine-4-carboxamide;hydrochloride

N-benzylpyridine-4-carboxamide;hydrochloride (PubChem CID 110755427) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is N-benzylpyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzylpyridine-4-carboxamide;hydrochloride
PubChem CID110755427
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC NameN-benzylpyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)c1ccncc1
InChIInChI=1S/C13H12N2O.ClH/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10H2,(H,15,16);1H
InChIKeyNUHQLTXQMBRBKN-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(benzylcarbamoyl)pyridine-4-carboxamide
CID 871557
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[[4-(bromomethyl)phenyl]methyl]pyridine-4-carboxamide
CID 107233792
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzylpyridine-3-carboxamide chloride
CID 21204170
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784452
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301

Frequently Asked Questions

What is the IUPAC name of N-benzylpyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-benzylpyridine-4-carboxamide;hydrochloride (CID 110755427) is N-benzylpyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-benzylpyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-benzylpyridine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)c1ccncc1.
What is the InChIKey of N-benzylpyridine-4-carboxamide;hydrochloride?
The InChIKey is NUHQLTXQMBRBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.ClH/c16-13(12-6-8-14-9-7-12)15-10-11-4-2-1-3-5-11;/h1-9H,10H2,(H,15,16);1H.
What are the key properties of N-benzylpyridine-4-carboxamide;hydrochloride?
N-benzylpyridine-4-carboxamide;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110755427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).