2-benzylpyridine-3-carboxamide;dihydrochloride

C13H14Cl2N2O — CID 141007334

IUPAC2-benzylpyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccnc1Cc1ccccc1
InChIInChI=1S/C13H12N2O.2ClH/c14-13(16)11-7-4-8-15-12(11)9-10-5-2-1-3-6-10;;/h1-8H,9H2,(H2,14,16);2*1H
InChIKeyNDZYLQJZHXKPMF-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.61
Rot. Bonds3

About 2-benzylpyridine-3-carboxamide;dihydrochloride

2-benzylpyridine-3-carboxamide;dihydrochloride (PubChem CID 141007334) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-benzylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-benzylpyridine-3-carboxamide;dihydrochloride
PubChem CID141007334
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2-benzylpyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccnc1Cc1ccccc1
InChIInChI=1S/C13H12N2O.2ClH/c14-13(16)11-7-4-8-15-12(11)9-10-5-2-1-3-6-10;;/h1-8H,9H2,(H2,14,16);2*1H
InChIKeyNDZYLQJZHXKPMF-UHFFFAOYSA-N
XLogP2.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 142681726
2-[(4-methylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 66848170
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
2-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 176827176
2-benzylpyridine-3-carboxylic acid;2-hydroxybutanedioic acid
CID 66808540
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 140674326
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
2-[2-(2-aminoethoxy)ethyl]pyridine-3-carboxamide
CID 172813947
2-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxylic acid
CID 67521270
2-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 67232650
2-(5-benzylpyrazin-2-yl)benzamide
CID 151985808
2-[[3-[3-(2-amino-2-carboxyethyl)phenyl]phenyl]methyl]pyridine-3-carboxylic acid
CID 11509081

Frequently Asked Questions

What is the IUPAC name of 2-benzylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-benzylpyridine-3-carboxamide;dihydrochloride (CID 141007334) is 2-benzylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-benzylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-benzylpyridine-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1cccnc1Cc1ccccc1.
What is the InChIKey of 2-benzylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is NDZYLQJZHXKPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.2ClH/c14-13(16)11-7-4-8-15-12(11)9-10-5-2-1-3-6-10;;/h1-8H,9H2,(H2,14,16);2*1H.
What are the key properties of 2-benzylpyridine-3-carboxamide;dihydrochloride?
2-benzylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 285.17 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 141007334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).