N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

C17H18ClN3O3S — CID 109156849

IUPACN-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C17H18ClN3O3S/c18-15-4-2-1-3-12(15)9-20-17(22)13-5-6-16(19-10-13)21-14-7-8-25(23,24)11-14/h1-6,10,14H,7-9,11H2,(H,19,21)(H,20,22)
InChIKeyAQGPBQHJPLNNHJ-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.26
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109156849) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
PubChem CID109156849
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(NC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C17H18ClN3O3S/c18-15-4-2-1-3-12(15)9-20-17(22)13-5-6-16(19-10-13)21-14-7-8-25(23,24)11-14/h1-6,10,14H,7-9,11H2,(H,19,21)(H,20,22)
InChIKeyAQGPBQHJPLNNHJ-UHFFFAOYSA-N
XLogP2.26
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109281808
N-[2-(4-chlorophenyl)ethyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159261
5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 109281904
6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956287
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159297
6-[(1,1-dioxothiolan-3-yl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346920
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
1-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 51272859
6-[(1,1-dioxothiolan-3-yl)amino]-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109159281
N-(2-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260888
6-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109348511

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (CID 109156849) is N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(NC2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is AQGPBQHJPLNNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c18-15-4-2-1-3-12(15)9-20-17(22)13-5-6-16(19-10-13)21-14-7-8-25(23,24)11-14/h1-6,10,14H,7-9,11H2,(H,19,21)(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 379.87 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109156849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).