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

C11H13ClN2OS — CID 81233110

IUPAC4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCS1)c1cnccc1Cl
InChIInChI=1S/C11H13ClN2OS/c12-10-3-4-13-7-9(10)11(15)14-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyMDULZXAURJZCJG-UHFFFAOYSA-N
MW256.76 g/mol
LogP2.36
Rot. Bonds3

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

4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 81233110) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is 4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID81233110
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCS1)c1cnccc1Cl
InChIInChI=1S/C11H13ClN2OS/c12-10-3-4-13-7-9(10)11(15)14-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKeyMDULZXAURJZCJG-UHFFFAOYSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 105070782
4-(propylamino)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 81245780
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
4-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81243951
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
1-chloro-N-(thian-2-ylmethyl)isoquinoline-4-carboxamide
CID 106766287
5-chloro-2-fluoro-N-(thian-2-ylmethyl)benzamide
CID 80599963
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
2,4-dihydroxy-N-(thiolan-2-ylmethyl)benzamide
CID 103750362
4-amino-3-chloro-N-(thiolan-2-ylmethyl)benzamide
CID 80584689
2-chloro-5-nitro-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 113254749

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide (CID 81233110) is 4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCS1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MDULZXAURJZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c12-10-3-4-13-7-9(10)11(15)14-6-8-2-1-5-16-8/h3-4,7-8H,1-2,5-6H2,(H,14,15).
What are the key properties of 4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide?
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 256.76 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81233110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).