N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride

C19H17ClN2O — CID 110756627

IUPACN-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(c1cccnc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O.ClH/c22-19(17-10-7-13-20-14-17)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16;/h1-14H,15H2;1H
InChIKeyXVEFPNRBVHVXCX-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.35
Rot. Bonds4

About N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride

N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride (PubChem CID 110756627) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
PubChem CID110756627
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(c1cccnc1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O.ClH/c22-19(17-10-7-13-20-14-17)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16;/h1-14H,15H2;1H
InChIKeyXVEFPNRBVHVXCX-UHFFFAOYSA-N
XLogP4.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzylpyridine-3-carbohydrazide;hydrochloride
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N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
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N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
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1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
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3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 110619955
tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
CID 101149304
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N'-benzyl-N'-phenylpyridine-3-carbohydrazide
CID 51156325
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
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N-benzyl-3-fluoro-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride (CID 110756627) is N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride is Cl.O=C(c1cccnc1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride?
The InChIKey is XVEFPNRBVHVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O.ClH/c22-19(17-10-7-13-20-14-17)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16;/h1-14H,15H2;1H.
What are the key properties of N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride?
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110756627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).