5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide

C12H17N3O2S — CID 113480531

IUPAC5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NC2CCS(=O)CC2)nc1
InChIInChI=1S/C12H17N3O2S/c1-13-10-2-3-11(14-8-10)12(16)15-9-4-6-18(17)7-5-9/h2-3,8-9,13H,4-7H2,1H3,(H,15,16)
InChIKeyKWABXIMOUYQZBC-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.76
Rot. Bonds3

About 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide

5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide (PubChem CID 113480531) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide
PubChem CID113480531
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NC2CCS(=O)CC2)nc1
InChIInChI=1S/C12H17N3O2S/c1-13-10-2-3-11(14-8-10)12(16)15-9-4-6-18(17)7-5-9/h2-3,8-9,13H,4-7H2,1H3,(H,15,16)
InChIKeyKWABXIMOUYQZBC-UHFFFAOYSA-N
XLogP0.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994
N-cyclopropyl-5-[4-(dimethylamino)anilino]pyridine-2-carboxamide
CID 109179984
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
N-(2,4-dimethylcyclohexyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641444
N-(dicyclopropylmethyl)-5-(methylamino)pyridine-2-carboxamide
CID 113436148
5-(ethylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 104639829
N-cycloheptyl-5-(4-methylanilino)pyridine-2-carboxamide
CID 109195297
N-cyclopropyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109179932
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179836
5-(4-acetamidoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183029
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
N-cyclopentyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109182282

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide (CID 113480531) is 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide is CNc1ccc(C(=O)NC2CCS(=O)CC2)nc1.
What is the InChIKey of 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide?
The InChIKey is KWABXIMOUYQZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-13-10-2-3-11(14-8-10)12(16)15-9-4-6-18(17)7-5-9/h2-3,8-9,13H,4-7H2,1H3,(H,15,16).
What are the key properties of 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide?
5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(1-oxothian-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113480531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).