3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

C12H17ClN2OS — CID 112551650

IUPAC3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-4-9(8-17-3)15(2)12(16)10-5-6-14-7-11(10)13/h5-7,9H,4,8H2,1-3H3
InChIKeyINNHALMMHFXNCL-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.95
Rot. Bonds5

About 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide

3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 112551650) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
PubChem CID112551650
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
SMILESCCC(CSC)N(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C12H17ClN2OS/c1-4-9(8-17-3)15(2)12(16)10-5-6-14-7-11(10)13/h5-7,9H,4,8H2,1-3H3
InChIKeyINNHALMMHFXNCL-UHFFFAOYSA-N
XLogP2.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115667187
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
N-(4-amino-4-sulfanylidenebutan-2-yl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66463013
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 112551556
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071045
3-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 66483342
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 79493993
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide (CID 112551650) is 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is CCC(CSC)N(C)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is INNHALMMHFXNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-4-9(8-17-3)15(2)12(16)10-5-6-14-7-11(10)13/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide?
3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112551650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).