5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide

C12H15ClN2OS — CID 172625620

IUPAC5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide
SMILESNC(=O)c1ncc(Cl)cc1SC1CCCCC1
InChIInChI=1S/C12H15ClN2OS/c13-8-6-10(11(12(14)16)15-7-8)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H2,14,16)
InChIKeyKGBQYGSVTQIAKF-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.26
Rot. Bonds3

About 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide

5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide (PubChem CID 172625620) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide
PubChem CID172625620
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC Name5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide
SMILESNC(=O)c1ncc(Cl)cc1SC1CCCCC1
InChIInChI=1S/C12H15ClN2OS/c13-8-6-10(11(12(14)16)15-7-8)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H2,14,16)
InChIKeyKGBQYGSVTQIAKF-UHFFFAOYSA-N
XLogP3.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-phenylsulfanylpyridine-2-carboxamide
CID 172625577
5-chloro-3-cyclohexylpyridine-2-carboxylic acid
CID 84727953
3-amino-4-cyclohexylsulfanylbenzamide
CID 54945547
1-(2-amino-5-chloro-3-pyridinyl)-2-cyclopentylsulfanylethanone
CID 65138738
5-chloro-3-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-2-carboxamide;dihydrochloride
CID 66962076
3-amino-5-chloropyridine-2-carboxylic acid;methyl (2S)-2-[(3-amino-5-chloropyridine-2-carbonyl)amino]-2-cyclohexylacetate;hydrochloride
CID 159531683
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanone
CID 55223975
(4-chloro-2-cyclopentylsulfanylphenyl)methanol
CID 114865639
cyclopropyl-(3,5-dichloro-2-pyridinyl)methanone
CID 79786695
5-chloro-N-cyclohexyl-2-(difluoromethyl)pyridine-3-carboxamide
CID 166988492
5-chloro-3-morpholin-4-ylpyridine-2-carboxamide
CID 166656624
2-chloro-6-cyclopentylsulfanylbenzoic acid
CID 63115684

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide (CID 172625620) is 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide is NC(=O)c1ncc(Cl)cc1SC1CCCCC1.
What is the InChIKey of 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide?
The InChIKey is KGBQYGSVTQIAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-8-6-10(11(12(14)16)15-7-8)17-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H2,14,16).
What are the key properties of 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide?
5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide has a molecular weight of 270.78 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 172625620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).