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

C11H15N3OS — CID 107298151

IUPAC2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCSC2)ccn1
InChIInChI=1S/C11H15N3OS/c12-10-5-9(1-3-13-10)11(15)14-6-8-2-4-16-7-8/h1,3,5,8H,2,4,6-7H2,(H2,12,13)(H,14,15)
InChIKeyWPWQHOXIASXFAI-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.15
Rot. Bonds3

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

2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 107298151) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
PubChem CID107298151
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NCC2CCSC2)ccn1
InChIInChI=1S/C11H15N3OS/c12-10-5-9(1-3-13-10)11(15)14-6-8-2-4-16-7-8/h1,3,5,8H,2,4,6-7H2,(H2,12,13)(H,14,15)
InChIKeyWPWQHOXIASXFAI-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
CID 107294730
2-chloro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115625144
2-amino-6-propan-2-yl-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298213
2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 107342929
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107295633
5-hydroxy-N-(thiolan-3-ylmethyl)pyridine-3-carboxamide
CID 107296482
2-amino-N-[(1,1-dioxothiolan-2-yl)methyl]pyridine-4-carboxamide
CID 81039827
2-oxo-N-(thiolan-3-ylmethyl)-1,3-dihydroindole-5-carboxamide
CID 107297840
7-amino-N-(thiolan-3-ylmethyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107298629
1-amino-N-(thiolan-3-ylmethyl)isoquinoline-4-carboxamide
CID 107298194

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide (CID 107298151) is 2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide is Nc1cc(C(=O)NCC2CCSC2)ccn1.
What is the InChIKey of 2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is WPWQHOXIASXFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c12-10-5-9(1-3-13-10)11(15)14-6-8-2-4-16-7-8/h1,3,5,8H,2,4,6-7H2,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide?
2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 107298151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).