6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C17H18ClN3O4S — CID 109159378

IUPAC6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C17H18ClN3O4S/c1-25-15-4-3-12(18)8-14(15)21-16-5-2-11(9-19-16)17(22)20-13-6-7-26(23,24)10-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyOIJFUHWBBMBPNN-UHFFFAOYSA-N
MW395.87 g/mol
LogP2.40
Rot. Bonds5

About 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 109159378) has the molecular formula C17H18ClN3O4S and a molecular weight of 395.87 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID109159378
Molecular FormulaC17H18ClN3O4S
Molecular Weight395.87 g/mol
Exact Mass395.07
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C17H18ClN3O4S/c1-25-15-4-3-12(18)8-14(15)21-16-5-2-11(9-19-16)17(22)20-13-6-7-26(23,24)10-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,21)(H,20,22)
InChIKeyOIJFUHWBBMBPNN-UHFFFAOYSA-N
XLogP2.40
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109152496
6-(2,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159404
N-(5-chloro-2-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260898
N-(1,1-dioxothiolan-3-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159361
N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159310
6-N-(5-chloro-2-methoxyphenyl)-4-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4,6-diamine
CID 112874528
N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159362
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,1-dicarboxamide
CID 108977981
N-(5-chloro-2-methoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122802
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 109159378) is 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is COc1ccc(Cl)cc1Nc1ccc(C(=O)NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is OIJFUHWBBMBPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S/c1-25-15-4-3-12(18)8-14(15)21-16-5-2-11(9-19-16)17(22)20-13-6-7-26(23,24)10-13/h2-5,8-9,13H,6-7,10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).