6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide

C11H15N3OS — CID 80586141

IUPAC6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
SMILESNc1cccc(C(=O)NCC2CCCS2)n1
InChIInChI=1S/C11H15N3OS/c12-10-5-1-4-9(14-10)11(15)13-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H2,12,14)(H,13,15)
InChIKeyKDXGQJAKTJPFGM-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.29
Rot. Bonds3

About 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide

6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 80586141) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID80586141
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
SMILESNc1cccc(C(=O)NCC2CCCS2)n1
InChIInChI=1S/C11H15N3OS/c12-10-5-1-4-9(14-10)11(15)13-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H2,12,14)(H,13,15)
InChIKeyKDXGQJAKTJPFGM-UHFFFAOYSA-N
XLogP1.29
TPSA68.01 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(1,4-dithian-2-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 119999138
6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
CID 80612377
6-amino-N-[(3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103832143
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
CID 80612211
6-N-(thian-2-ylmethyl)pyridine-2,6-diamine
CID 80646834
5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
CID 113436225
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 62240688
2-iodo-3-methyl-N-(thiolan-2-ylmethyl)benzamide
CID 103750051
4-amino-3-chloro-N-(thiolan-2-ylmethyl)benzamide
CID 80584689
(E)-3-[6-(thiolan-2-ylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 80586037

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide (CID 80586141) is 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide is Nc1cccc(C(=O)NCC2CCCS2)n1.
What is the InChIKey of 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is KDXGQJAKTJPFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c12-10-5-1-4-9(14-10)11(15)13-7-8-3-2-6-16-8/h1,4-5,8H,2-3,6-7H2,(H2,12,14)(H,13,15).
What are the key properties of 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide?
6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 80586141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).