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

C17H19N3O4S — CID 109214961

IUPAC4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C17H19N3O4S/c1-24-16-5-3-2-4-14(16)20-17(21)15-10-12(6-8-18-15)19-13-7-9-25(22,23)11-13/h2-6,8,10,13H,7,9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyRBCASTIIPZJXLE-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.94
Rot. Bonds5

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

4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109214961) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109214961
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(NC2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C17H19N3O4S/c1-24-16-5-3-2-4-14(16)20-17(21)15-10-12(6-8-18-15)19-13-7-9-25(22,23)11-13/h2-6,8,10,13H,7,9,11H2,1H3,(H,18,19)(H,20,21)
InChIKeyRBCASTIIPZJXLE-UHFFFAOYSA-N
XLogP1.94
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109214970
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212055
4-(cycloheptylamino)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109217163
N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109214874
4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109214973
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109214889
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109205055
4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210417
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109309182
4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109202049

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide (CID 109214961) is 4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide is COc1ccccc1NC(=O)c1cc(NC2CCS(=O)(=O)C2)ccn1.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is RBCASTIIPZJXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-24-16-5-3-2-4-14(16)20-17(21)15-10-12(6-8-18-15)19-13-7-9-25(22,23)11-13/h2-6,8,10,13H,7,9,11H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109214961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).