2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

C12H19N3OS — CID 112664138

IUPAC2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1ccnc(N)c1
InChIInChI=1S/C12H19N3OS/c1-4-10(8-17-3)15(2)12(16)9-5-6-14-11(13)7-9/h5-7,10H,4,8H2,1-3H3,(H2,13,14)
InChIKeyKUTFIMBNAZDESW-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 112664138) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
PubChem CID112664138
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1ccnc(N)c1
InChIInChI=1S/C12H19N3OS/c1-4-10(8-17-3)15(2)12(16)9-5-6-14-11(13)7-9/h5-7,10H,4,8H2,1-3H3,(H2,13,14)
InChIKeyKUTFIMBNAZDESW-UHFFFAOYSA-N
XLogP1.88
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
2-amino-N-(2-methylpropyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 79501668
2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114194010
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 112551556
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
2-amino-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 62156310
6-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 112663249
5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 102705866

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (CID 112664138) is 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is CCC(CSC)N(C)C(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is KUTFIMBNAZDESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-10(8-17-3)15(2)12(16)9-5-6-14-11(13)7-9/h5-7,10H,4,8H2,1-3H3,(H2,13,14).
What are the key properties of 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112664138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).