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

C18H21N3O5S — CID 109214970

IUPACN-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NC3CCS(=O)(=O)C3)ccn2)c(OC)c1
InChIInChI=1S/C18H21N3O5S/c1-25-14-3-4-15(17(10-14)26-2)21-18(22)16-9-12(5-7-19-16)20-13-6-8-27(23,24)11-13/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyFDTPXYARGMKYLV-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.95
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide (PubChem CID 109214970) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
PubChem CID109214970
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NC3CCS(=O)(=O)C3)ccn2)c(OC)c1
InChIInChI=1S/C18H21N3O5S/c1-25-14-3-4-15(17(10-14)26-2)21-18(22)16-9-12(5-7-19-16)20-13-6-8-27(23,24)11-13/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyFDTPXYARGMKYLV-UHFFFAOYSA-N
XLogP1.95
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961
N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285300
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
N-(2,4-dimethoxyphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205966
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
6-(2,4-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109351869
N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159310
4-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109220991
4-(3-chloro-4-methylanilino)-N-(2,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109221271
4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109214973
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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide (CID 109214970) is N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(NC3CCS(=O)(=O)C3)ccn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is FDTPXYARGMKYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-14-3-4-15(17(10-14)26-2)21-18(22)16-9-12(5-7-19-16)20-13-6-8-27(23,24)11-13/h3-5,7,9-10,13H,6,8,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 109214970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).