2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride

C15H15ClN2O3 — CID 52988212

IUPAC2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride
SMILESCN(C(=O)c1cccnc1)c1ccc(CC(=O)O)cc1.Cl
InChIInChI=1S/C15H14N2O3.ClH/c1-17(15(20)12-3-2-8-16-10-12)13-6-4-11(5-7-13)9-14(18)19;/h2-8,10H,9H2,1H3,(H,18,19);1H
InChIKeyAOQUFVTVKGDIFK-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.41
Rot. Bonds4

About 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride

2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride (PubChem CID 52988212) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride
PubChem CID52988212
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride
SMILESCN(C(=O)c1cccnc1)c1ccc(CC(=O)O)cc1.Cl
InChIInChI=1S/C15H14N2O3.ClH/c1-17(15(20)12-3-2-8-16-10-12)13-6-4-11(5-7-13)9-14(18)19;/h2-8,10H,9H2,1H3,(H,18,19);1H
InChIKeyAOQUFVTVKGDIFK-UHFFFAOYSA-N
XLogP2.41
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 61129416
N-[4-(2-aminoethoxy)phenyl]-N-methylpyridine-3-carboxamide
CID 28755886
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-[4-(aminomethyl)phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 43276007
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridine-3-carboxamide
CID 110752821
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
2-[4-[acetyl(methyl)amino]phenyl]acetic acid
CID 20670865
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
CID 66868100
CID 66868100
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride?
The IUPAC name of 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride (CID 52988212) is 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride is CN(C(=O)c1cccnc1)c1ccc(CC(=O)O)cc1.Cl.
What is the InChIKey of 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride?
The InChIKey is AOQUFVTVKGDIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3.ClH/c1-17(15(20)12-3-2-8-16-10-12)13-6-4-11(5-7-13)9-14(18)19;/h2-8,10H,9H2,1H3,(H,18,19);1H.
What are the key properties of 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride?
2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride has a molecular weight of 306.75 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(pyridine-3-carbonyl)amino]phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 52988212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).