4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide

C11H15ClN2OS — CID 115604084

IUPAC4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
SMILESCSC(C)CCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2OS/c1-8(16-2)3-5-14-11(15)10-7-9(12)4-6-13-10/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyMHVHVJZYLPIBFI-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.61
Rot. Bonds5

About 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide

4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide (PubChem CID 115604084) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
PubChem CID115604084
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
SMILESCSC(C)CCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C11H15ClN2OS/c1-8(16-2)3-5-14-11(15)10-7-9(12)4-6-13-10/h4,6-8H,3,5H2,1-2H3,(H,14,15)
InChIKeyMHVHVJZYLPIBFI-UHFFFAOYSA-N
XLogP2.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538436
4-chloro-N-(3-methylsulfinylbutyl)pyridine-2-carboxamide
CID 115729500
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473
N-(3-aminopropyl)-4-chloropyridine-2-carboxamide
CID 61247982
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
4-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62186873
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-2-carboxamide
CID 62297092
4-chloro-N-(3-cyclopropylpropyl)pyridine-2-carboxamide
CID 115635951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide (CID 115604084) is 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide is CSC(C)CCNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide?
The InChIKey is MHVHVJZYLPIBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-8(16-2)3-5-14-11(15)10-7-9(12)4-6-13-10/h4,6-8H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide?
4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 115604084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).