5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

C19H23N3O3S — CID 109193159

IUPAC5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(2)14-3-5-15(6-4-14)22-19(23)18-8-7-16(11-20-18)21-17-9-10-26(24,25)12-17/h3-8,11,13,17,21H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyHOZHEQIIHNAYNE-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.06
Rot. Bonds5

About 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109193159) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109193159
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(2)14-3-5-15(6-4-14)22-19(23)18-8-7-16(11-20-18)21-17-9-10-26(24,25)12-17/h3-8,11,13,17,21H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyHOZHEQIIHNAYNE-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109180137
5-[(1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179484
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193168
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109181435
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306
5-[(1,1-dioxothiolan-3-yl)amino]-N,N-diethylpyridine-2-carboxamide
CID 109193128
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189604
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190368
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
CID 51463150
N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 109193135

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109193159) is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccc(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)cn2)cc1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is HOZHEQIIHNAYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(2)14-3-5-15(6-4-14)22-19(23)18-8-7-16(11-20-18)21-17-9-10-26(24,25)12-17/h3-8,11,13,17,21H,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109193159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).