N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

C18H20N4O4S — CID 109159319

IUPACN-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)nc2)cc1
InChIInChI=1S/C18H20N4O4S/c1-12(23)20-14-3-5-15(6-4-14)22-18(24)13-2-7-17(19-10-13)21-16-8-9-27(25,26)11-16/h2-7,10,16H,8-9,11H2,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyVRRRMFWENVWIAJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.89
Rot. Bonds5

About N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109159319) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
PubChem CID109159319
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)nc2)cc1
InChIInChI=1S/C18H20N4O4S/c1-12(23)20-14-3-5-15(6-4-14)22-18(24)13-2-7-17(19-10-13)21-16-8-9-27(25,26)11-16/h2-7,10,16H,8-9,11H2,1H3,(H,19,21)(H,20,23)(H,22,24)
InChIKeyVRRRMFWENVWIAJ-UHFFFAOYSA-N
XLogP1.89
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)amino]-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109159281
6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159297
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113013624
6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956287
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]benzamide
CID 113028611
N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159310
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3,4-difluorobenzamide
CID 113028644
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
N-(3-acetamidophenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42654442
N-[2-(4-chlorophenyl)ethyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159261

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (CID 109159319) is N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is VRRRMFWENVWIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-12(23)20-14-3-5-15(6-4-14)22-18(24)13-2-7-17(19-10-13)21-16-8-9-27(25,26)11-16/h2-7,10,16H,8-9,11H2,1H3,(H,19,21)(H,20,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109159319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).