N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide

C16H16ClN3O3S — CID 109193168

IUPACN-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C16H16ClN3O3S/c17-11-2-1-3-12(8-11)20-16(21)15-5-4-13(9-18-15)19-14-6-7-24(22,23)10-14/h1-5,8-9,14,19H,6-7,10H2,(H,20,21)
InChIKeyDTBYGOIIBDNPSX-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.59
Rot. Bonds4

About N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide

N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide (PubChem CID 109193168) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
PubChem CID109193168
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC NameN-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C16H16ClN3O3S/c17-11-2-1-3-12(8-11)20-16(21)15-5-4-13(9-18-15)19-14-6-7-24(22,23)10-14/h1-5,8-9,14,19H,6-7,10H2,(H,20,21)
InChIKeyDTBYGOIIBDNPSX-UHFFFAOYSA-N
XLogP2.59
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109193159
3-chloro-N-[4-[(1,1-dioxothiolan-3-yl)amino]phenyl]benzamide
CID 112983803
5-[(1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179484
4-N-(3-chlorophenyl)-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109088370
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
N-(3-acetamidophenyl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180174
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109181435
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189604
N-[3-[(1,1-dioxothiolan-3-yl)amino]phenyl]acetamide
CID 24704399
4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109214973
1-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-phenylurea
CID 113028652

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide (CID 109193168) is N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is DTBYGOIIBDNPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-11-2-1-3-12(8-11)20-16(21)15-5-4-13(9-18-15)19-14-6-7-24(22,23)10-14/h1-5,8-9,14,19H,6-7,10H2,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide?
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide has a molecular weight of 365.84 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 109193168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).