2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid

C15H14N2O3S — CID 65346541

IUPAC2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
SMILESCSc1ncccc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H14N2O3S/c1-21-15-12(6-3-7-16-15)14(20)17-11-5-2-4-10(8-11)9-13(18)19/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyHHGDOBNIIQCGPN-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.68
Rot. Bonds5

About 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid

2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 65346541) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
PubChem CID65346541
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
SMILESCSc1ncccc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C15H14N2O3S/c1-21-15-12(6-3-7-16-15)14(20)17-11-5-2-4-10(8-11)9-13(18)19/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyHHGDOBNIIQCGPN-UHFFFAOYSA-N
XLogP2.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
2-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339030
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4043210
N-(3-ethylphenyl)-2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxamide
CID 18288969
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid (CID 65346541) is 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid is CSc1ncccc1C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is HHGDOBNIIQCGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-21-15-12(6-3-7-16-15)14(20)17-11-5-2-4-10(8-11)9-13(18)19/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid?
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 302.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65346541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).