2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide

C11H15ClN2OS — CID 63964965

IUPAC2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCSCC(C)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-8(7-16-2)6-14-11(15)9-4-3-5-13-10(9)12/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyJMFLFDOCYFGGJE-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.46
Rot. Bonds5

About 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide

2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide (PubChem CID 63964965) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
PubChem CID63964965
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCSCC(C)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C11H15ClN2OS/c1-8(7-16-2)6-14-11(15)9-4-3-5-13-10(9)12/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyJMFLFDOCYFGGJE-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-hydroxy-2-methylbutyl)pyridine-3-carboxamide
CID 66089719
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037156
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-3-carboxamide
CID 61248888
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756
2-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carboxylic acid
CID 63960048
5-amino-2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114089506

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide (CID 63964965) is 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide is CSCC(C)CNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide?
The InChIKey is JMFLFDOCYFGGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-8(7-16-2)6-14-11(15)9-4-3-5-13-10(9)12/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide?
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide has a molecular weight of 258.77 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 63964965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).