N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

C12H12ClN3O — CID 110755498

IUPACN-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccnc1)c1cccnc1
InChIInChI=1S/C12H11N3O.ClH/c16-12(11-4-2-6-14-9-11)15-8-10-3-1-5-13-7-10;/h1-7,9H,8H2,(H,15,16);1H
InChIKeyLTXDPJGKKVFKBN-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.83
Rot. Bonds3

About N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride

N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 110755498) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID110755498
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cccnc1)c1cccnc1
InChIInChI=1S/C12H11N3O.ClH/c16-12(11-4-2-6-14-9-11)15-8-10-3-1-5-13-7-10;/h1-7,9H,8H2,(H,15,16);1H
InChIKeyLTXDPJGKKVFKBN-UHFFFAOYSA-N
XLogP1.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylpyridine-3-carboxamide chloride
CID 21204170
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
N-[(3-carbamothioylphenyl)methyl]pyridine-3-carboxamide
CID 62311611
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
N-[(4-tert-butylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110779584
N-[(3-iodophenyl)methyl]pyridine-3-carboxamide
CID 125490904
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-(pyridin-3-ylmethyl)thiophene-3-carboxamide
CID 17015853
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride (CID 110755498) is N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCc1cccnc1)c1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is LTXDPJGKKVFKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O.ClH/c16-12(11-4-2-6-14-9-11)15-8-10-3-1-5-13-7-10;/h1-7,9H,8H2,(H,15,16);1H.
What are the key properties of N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride?
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 249.70 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110755498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).