2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid

C16H18N2O2S — CID 107645154

IUPAC2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(Nc2ccccc2SC)n1
InChIInChI=1S/C16H18N2O2S/c1-3-6-12-9-11(16(19)20)10-15(17-12)18-13-7-4-5-8-14(13)21-2/h4-5,7-10H,3,6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMZUVIHDXOZWATB-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.20
Rot. Bonds6

About 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid

2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid (PubChem CID 107645154) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid
PubChem CID107645154
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid
SMILESCCCc1cc(C(=O)O)cc(Nc2ccccc2SC)n1
InChIInChI=1S/C16H18N2O2S/c1-3-6-12-9-11(16(19)20)10-15(17-12)18-13-7-4-5-8-14(13)21-2/h4-5,7-10H,3,6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyMZUVIHDXOZWATB-UHFFFAOYSA-N
XLogP4.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-{[6-Methyl-2-(methylthio)-4-pyrimidinyl]amino}benzoic acid hydrochloride
CID 16014846
(S)-2-sec-Butylamino-6-(2-fluorophenyl)-isonicotinic acid
CID 68816917
2-(Butan-2-ylamino)-6-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 68816920
2-(N-[(2S)-butan-2-yl]anilino)-6-(2,2-difluoropropyl)pyridine-4-carboxylic acid
CID 69347017
2-(2-Butan-2-ylanilino)-6-(2,2-difluoropropyl)pyridine-4-carboxylic acid
CID 69347021
4-(5-Fluoro-6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzothiazine-6-carboxylic acid
CID 167463760
m-(2-Amino-6-methyl-4-pyrimidinylamino)benzoic acid
CID 618522
2-Anilino-5,6,7,8-tetrahydroquinoline-4-carboxylic
CID 129780648
2-Chloro-6-[2-(difluoromethylsulfanyl)anilino]pyridine-4-carboxylic acid
CID 43343623
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 61777246
6-[2-(Difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid
CID 62253042
6-[2-(Difluoromethylsulfanyl)anilino]-2-methylpyridine-3-carboxylic acid
CID 81852647

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid (CID 107645154) is 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid is CCCc1cc(C(=O)O)cc(Nc2ccccc2SC)n1.
What is the InChIKey of 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid?
The InChIKey is MZUVIHDXOZWATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-6-12-9-11(16(19)20)10-15(17-12)18-13-7-4-5-8-14(13)21-2/h4-5,7-10H,3,6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid?
2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylanilino)-6-propylpyridine-4-carboxylic acid is sourced from PubChem (CID 107645154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).