5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide

C14H15N3OS — CID 61117272

IUPAC5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C14H15N3OS/c1-9-11(7-10(15)8-16-9)14(18)17-12-5-3-4-6-13(12)19-2/h3-8H,15H2,1-2H3,(H,17,18)
InChIKeyHFCKTEUGUZREBK-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.95
Rot. Bonds3

About 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide

5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide (PubChem CID 61117272) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
PubChem CID61117272
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(N)cnc1C
InChIInChI=1S/C14H15N3OS/c1-9-11(7-10(15)8-16-9)14(18)17-12-5-3-4-6-13(12)19-2/h3-8H,15H2,1-2H3,(H,17,18)
InChIKeyHFCKTEUGUZREBK-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide (CID 61117272) is 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide is CSc1ccccc1NC(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide?
The InChIKey is HFCKTEUGUZREBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-11(7-10(15)8-16-9)14(18)17-12-5-3-4-6-13(12)19-2/h3-8H,15H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide?
5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 61117272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).