2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide

C19H23N3O3S — CID 109173345

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H23N3O3S/c1-3-14-6-4-5-13(2)18(14)22-19(23)15-7-9-20-17(11-15)21-16-8-10-26(24,25)12-16/h4-7,9,11,16H,3,8,10,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXXDBQUVSBWZLSP-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.80
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide

2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide (PubChem CID 109173345) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
PubChem CID109173345
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H23N3O3S/c1-3-14-6-4-5-13(2)18(14)22-19(23)15-7-9-20-17(11-15)21-16-8-10-26(24,25)12-16/h4-7,9,11,16H,3,8,10,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyXXDBQUVSBWZLSP-UHFFFAOYSA-N
XLogP2.80
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide with MolForge

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109351751
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285271
2-(ethylamino)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 62184923
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide
CID 109173265
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109177005
2-N-(1,1-dioxothiolan-3-yl)-4-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112921839
N-(2-ethyl-6-methylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109176999
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 109193306
6-[(1,1-dioxothiolan-3-yl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346920
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172781
N-(2,6-dimethylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62165900
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide (CID 109173345) is 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1ccnc(NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide?
The InChIKey is XXDBQUVSBWZLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-14-6-4-5-13(2)18(14)22-19(23)15-7-9-20-17(11-15)21-16-8-10-26(24,25)12-16/h4-7,9,11,16H,3,8,10,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide?
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109173345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).