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

C19H23N3O3S — CID 109215799

IUPAC4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(c1ccnc(C(=O)Nc2cccc(C)c2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O3S/c1-3-22(17-8-10-26(24,25)13-17)16-7-9-20-18(12-16)19(23)21-15-6-4-5-14(2)11-15/h4-7,9,11-12,17H,3,8,10,13H2,1-2H3,(H,21,23)
InChIKeyJRWYSFVVAHKEHT-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.66
Rot. Bonds5

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

4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109215799) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109215799
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCCN(c1ccnc(C(=O)Nc2cccc(C)c2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O3S/c1-3-22(17-8-10-26(24,25)13-17)16-7-9-20-18(12-16)19(23)21-15-6-4-5-14(2)11-15/h4-7,9,11-12,17H,3,8,10,13H2,1-2H3,(H,21,23)
InChIKeyJRWYSFVVAHKEHT-UHFFFAOYSA-N
XLogP2.66
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109215809
N-(2,6-difluorophenyl)-4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109215827
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109215813
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109310102
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109331910
N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
CID 109123676
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088353
4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-diethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112897644
N-(2,6-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-4-carboxamide
CID 109352658
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(3-methylphenyl)propanediamide
CID 108949205
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109123679
N-(2,5-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-4-carboxamide
CID 109352655

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109215799) is 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide is CCN(c1ccnc(C(=O)Nc2cccc(C)c2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is JRWYSFVVAHKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-22(17-8-10-26(24,25)13-17)16-7-9-20-18(12-16)19(23)21-15-6-4-5-14(2)11-15/h4-7,9,11-12,17H,3,8,10,13H2,1-2H3,(H,21,23).
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide?
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109215799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).