N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride

C13H13ClN2O — CID 110756365

IUPACN-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1cccnc1)c1ccccc1.Cl
InChIInChI=1S/C13H12N2O.ClH/c1-15(12-7-3-2-4-8-12)13(16)11-6-5-9-14-10-11;/h2-10H,1H3;1H
InChIKeyCEZKZWYKHVJRHV-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.78
Rot. Bonds2

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

N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride (PubChem CID 110756365) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
PubChem CID110756365
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC NameN-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1cccnc1)c1ccccc1.Cl
InChIInChI=1S/C13H12N2O.ClH/c1-15(12-7-3-2-4-8-12)13(16)11-6-5-9-14-10-11;/h2-10H,1H3;1H
InChIKeyCEZKZWYKHVJRHV-UHFFFAOYSA-N
XLogP2.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride
CID 52988212
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N-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 61129416
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-[4-(2-aminoethoxy)phenyl]-N-methylpyridine-3-carboxamide
CID 28755886
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridine-3-carboxamide
CID 110752821
4-acetamido-N-methyl-N-pyridin-3-ylbenzamide
CID 59607027
6-methoxy-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607054
5-(diethylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109238902
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride (CID 110756365) is N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride is CN(C(=O)c1cccnc1)c1ccccc1.Cl.
What is the InChIKey of N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride?
The InChIKey is CEZKZWYKHVJRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.ClH/c1-15(12-7-3-2-4-8-12)13(16)11-6-5-9-14-10-11;/h2-10H,1H3;1H.
What are the key properties of N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride?
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110756365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).