3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide

C11H15N3OS — CID 103064751

IUPAC3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC1CCSC1
InChIInChI=1S/C11H15N3OS/c1-12-10-6-13-4-2-9(10)11(15)14-8-3-5-16-7-8/h2,4,6,8,12H,3,5,7H2,1H3,(H,14,15)
InChIKeyAODDBLNDRARECK-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.36
Rot. Bonds3

About 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide

3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide (PubChem CID 103064751) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
PubChem CID103064751
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC1CCSC1
InChIInChI=1S/C11H15N3OS/c1-12-10-6-13-4-2-9(10)11(15)14-8-3-5-16-7-8/h2,4,6,8,12H,3,5,7H2,1H3,(H,14,15)
InChIKeyAODDBLNDRARECK-UHFFFAOYSA-N
XLogP1.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(methylamino)pyridine-4-carboxamide
CID 105068162
3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 105068747
N-(4-ethylcyclohexyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069028
3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide
CID 115696792
3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064707
N-(dicyclopropylmethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069656
3-(methylamino)-N-(2-methylcycloheptyl)pyridine-4-carboxamide
CID 105070514
6-oxo-2-pyridin-4-yl-N-[(3S)-thiolan-3-yl]-1H-pyrimidine-5-carboxamide
CID 97110681
5-bromo-1-methyl-N-(thiolan-3-yl)pyrazole-4-carboxamide
CID 130978376
3-(methylamino)-N-(2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 105070917
2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064706
5-(methylamino)-2-propan-2-yl-N-(thiolan-3-yl)pyrimidine-4-carboxamide
CID 103064725

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide (CID 103064751) is 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide is CNc1cnccc1C(=O)NC1CCSC1.
What is the InChIKey of 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide?
The InChIKey is AODDBLNDRARECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-12-10-6-13-4-2-9(10)11(15)14-8-3-5-16-7-8/h2,4,6,8,12H,3,5,7H2,1H3,(H,14,15).
What are the key properties of 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide?
3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103064751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).