1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide

C13H15N3OS — CID 54326995

IUPAC1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide
SMILESCSc1cccc(NN2C=C(C(N)=O)C=CC2)c1
InChIInChI=1S/C13H15N3OS/c1-18-12-6-2-5-11(8-12)15-16-7-3-4-10(9-16)13(14)17/h2-6,8-9,15H,7H2,1H3,(H2,14,17)
InChIKeySVQJSQCPHDGORC-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.98
Rot. Bonds4

About 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide

1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide (PubChem CID 54326995) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide
PubChem CID54326995
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide
SMILESCSc1cccc(NN2C=C(C(N)=O)C=CC2)c1
InChIInChI=1S/C13H15N3OS/c1-18-12-6-2-5-11(8-12)15-16-7-3-4-10(9-16)13(14)17/h2-6,8-9,15H,7H2,1H3,(H2,14,17)
InChIKeySVQJSQCPHDGORC-UHFFFAOYSA-N
XLogP1.98
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-3-carboxamide
CID 19781668
1-(3-methylsulfanylanilino)-2H-pyridine-3-carboxamide
CID 19781721
1-(3-methylsulfanylanilino)-2H-pyridine-3-carboxylic acid
CID 19781739
1-(3-Methylsulfanylphenyl)diazinan-3-one
CID 19911352
1-anilino-2H-pyridine-5-carboxamide
CID 53935924
1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxylic acid
CID 53959591
1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-5-carboxamide
CID 54036296
1-[3,5-bis(methylsulfanyl)anilino]-2H-pyridine-5-carboxylic acid
CID 54256104
2-(4-methylsulfanylphenyl)-1H-pyrazol-5-one
CID 89876294
N-[2-(3-hydrazinylphenyl)sulfanylethyl]acetamide
CID 139670422
N-(3-methylsulfanylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8025781
3-(3-Aminophenyl)sulfanyl-2-methylpropanehydrazide
CID 79133494

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide?
The IUPAC name of 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide (CID 54326995) is 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide.
What is the SMILES notation for 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide?
The canonical SMILES for 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide is CSc1cccc(NN2C=C(C(N)=O)C=CC2)c1.
What is the InChIKey of 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide?
The InChIKey is SVQJSQCPHDGORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-18-12-6-2-5-11(8-12)15-16-7-3-4-10(9-16)13(14)17/h2-6,8-9,15H,7H2,1H3,(H2,14,17).
What are the key properties of 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide?
1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylanilino)-2H-pyridine-5-carboxamide is sourced from PubChem (CID 54326995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).