6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide

C19H23N3O4S — CID 25024948

IUPAC6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H23N3O4S/c1-12(2)20-18(23)16-6-5-7-17(22-16)19(24)21-13(3)14-8-10-15(11-9-14)27(4,25)26/h5-13H,1-4H3,(H,20,23)(H,21,24)
InChIKeyLVEIWGJSXHOAKJ-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.11
Rot. Bonds6

About 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide

6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 25024948) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID25024948
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H23N3O4S/c1-12(2)20-18(23)16-6-5-7-17(22-16)19(24)21-13(3)14-8-10-15(11-9-14)27(4,25)26/h5-13H,1-4H3,(H,20,23)(H,21,24)
InChIKeyLVEIWGJSXHOAKJ-UHFFFAOYSA-N
XLogP2.11
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 137487537
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 31883285
3-amino-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401938
N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509
2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401935
3,4,5,6-tetrachloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 26468278
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179
5-(difluoromethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 125447012
8-(3-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,6-naphthyridine-2-carboxamide
CID 75203761
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 25024948) is 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide is CC(C)NC(=O)c1cccc(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is LVEIWGJSXHOAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-12(2)20-18(23)16-6-5-7-17(22-16)19(24)21-13(3)14-8-10-15(11-9-14)27(4,25)26/h5-13H,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide?
6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 389.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 25024948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).