N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide

C19H23N3O3S — CID 109159362

IUPACN-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccc(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(2)14-3-6-16(7-4-14)21-18-8-5-15(11-20-18)19(23)22-17-9-10-26(24,25)12-17/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZWCGQNXGVZDTQG-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.87
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109159362) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109159362
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccc(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(2)14-3-6-16(7-4-14)21-18-8-5-15(11-20-18)19(23)22-17-9-10-26(24,25)12-17/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyZWCGQNXGVZDTQG-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396
N-(1,1-dioxothiolan-3-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159361
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159393
N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156112
6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159378
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159404
N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62169779
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
4-N-(1,1-dioxothiolan-3-yl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112861969
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159297
5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109193159

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide (CID 109159362) is N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide is CC(C)c1ccc(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)cn2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is ZWCGQNXGVZDTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(2)14-3-6-16(7-4-14)21-18-8-5-15(11-20-18)19(23)22-17-9-10-26(24,25)12-17/h3-8,11,13,17H,9-10,12H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109159362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).