4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide

C10H13N3OS — CID 103064661

IUPAC4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)NC2CCSC2)c1
InChIInChI=1S/C10H13N3OS/c11-7-1-3-12-9(5-7)10(14)13-8-2-4-15-6-8/h1,3,5,8H,2,4,6H2,(H2,11,12)(H,13,14)
InChIKeyNMIBGKLMXXPQNW-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.90
Rot. Bonds2

About 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide

4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide (PubChem CID 103064661) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
PubChem CID103064661
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
SMILESNc1ccnc(C(=O)NC2CCSC2)c1
InChIInChI=1S/C10H13N3OS/c11-7-1-3-12-9(5-7)10(14)13-8-2-4-15-6-8/h1,3,5,8H,2,4,6H2,(H2,11,12)(H,13,14)
InChIKeyNMIBGKLMXXPQNW-UHFFFAOYSA-N
XLogP0.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064706
4-amino-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 83040050
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
4-amino-N-(thiolan-3-yl)-1H-pyrrole-2-carboxamide
CID 103062224
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
4-amino-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 62410186
4-amino-N-(2-methylcyclohexyl)pyridine-2-carboxamide
CID 62155915
4-(thiolan-3-ylamino)pyridine-2-carboxylic acid
CID 103063321
N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 126997753
4-amino-N-(2-methoxycyclopentyl)pyridine-2-carboxamide
CID 62159962
3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064707

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide (CID 103064661) is 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide is Nc1ccnc(C(=O)NC2CCSC2)c1.
What is the InChIKey of 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide?
The InChIKey is NMIBGKLMXXPQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c11-7-1-3-12-9(5-7)10(14)13-8-2-4-15-6-8/h1,3,5,8H,2,4,6H2,(H2,11,12)(H,13,14).
What are the key properties of 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide?
4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide has a molecular weight of 223.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 103064661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).