1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide

C20H24N2O2S — CID 172671706

IUPAC1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCN(Cc1ccc(SC)cc1)C(=O)c1c(C)ccn(C2CC2)c1=O
InChIInChI=1S/C20H24N2O2S/c1-4-21(13-15-5-9-17(25-3)10-6-15)19(23)18-14(2)11-12-22(20(18)24)16-7-8-16/h5-6,9-12,16H,4,7-8,13H2,1-3H3
InChIKeyCSPUIDGOXXBEBE-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.88
Rot. Bonds6

About 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide

1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172671706) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID172671706
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCN(Cc1ccc(SC)cc1)C(=O)c1c(C)ccn(C2CC2)c1=O
InChIInChI=1S/C20H24N2O2S/c1-4-21(13-15-5-9-17(25-3)10-6-15)19(23)18-14(2)11-12-22(20(18)24)16-7-8-16/h5-6,9-12,16H,4,7-8,13H2,1-3H3
InChIKeyCSPUIDGOXXBEBE-UHFFFAOYSA-N
XLogP3.88
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172665801
N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667682
1-cyclopropyl-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 172659790
1-cyclopropyl-N,4-dimethyl-2-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 172669335
1-cyclopropyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172655430
(3R)-1-tert-butyl-N-ethyl-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97122756
N-cyclopropyl-1-ethyl-N-[(4-methylsulfanylphenyl)methyl]pyrazole-3-carboxamide
CID 50979828
N,N-diethyl-4-methylsulfanylbenzamide;ethane
CID 145226293
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
N,1-diethyl-3-(2-methylpropyl)-N-[(4-methylsulfanylphenyl)methyl]pyrazole-5-carboxamide
CID 72902050
4-methyl-2-oxo-1-[1-(2-phenylethyl)piperidin-4-yl]pyridine-3-carboxylic acid
CID 170511544
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 172671706) is 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide is CCN(Cc1ccc(SC)cc1)C(=O)c1c(C)ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is CSPUIDGOXXBEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-21(13-15-5-9-17(25-3)10-6-15)19(23)18-14(2)11-12-22(20(18)24)16-7-8-16/h5-6,9-12,16H,4,7-8,13H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide?
1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-4-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172671706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).