2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid

C16H15ClN2O3 — CID 138041122

IUPAC2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c1-16(2,15(21)22)10-3-5-11(6-4-10)19-14(20)12-7-8-18-9-13(12)17/h3-9H,1-2H3,(H,19,20)(H,21,22)
InChIKeyQBFHVRXIEIEGBZ-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.35
Rot. Bonds4

About 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid

2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 138041122) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID138041122
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C16H15ClN2O3/c1-16(2,15(21)22)10-3-5-11(6-4-10)19-14(20)12-7-8-18-9-13(12)17/h3-9H,1-2H3,(H,19,20)(H,21,22)
InChIKeyQBFHVRXIEIEGBZ-UHFFFAOYSA-N
XLogP3.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 75539634
3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 66484493
4-chloro-N-[4-(2-cyanopropan-2-yl)phenyl]pyridine-3-carboxamide
CID 81228521
3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
CID 66483370
3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334
2-methyl-2-[4-[(2-methylbenzoyl)amino]phenyl]propanoic acid
CID 84587288
3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide
CID 106913068
3-chloro-N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 66483325
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66462226
2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 66464958
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
3-chloro-N-[3-(dimethylcarbamoyl)-4-methoxyphenyl]pyridine-4-carboxamide
CID 131944597

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid (CID 138041122) is 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)c2ccncc2Cl)cc1.
What is the InChIKey of 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is QBFHVRXIEIEGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-16(2,15(21)22)10-3-5-11(6-4-10)19-14(20)12-7-8-18-9-13(12)17/h3-9H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid?
2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 318.76 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 138041122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).