N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

C18H20ClN3O3S — CID 109237296

IUPACN-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(NC3CCS(=O)(=O)C3)c2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c1-11-5-12(2)17(16(19)6-11)22-18(23)13-7-15(9-20-8-13)21-14-3-4-26(24,25)10-14/h5-9,14,21H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyXNKIBWMRRPGNPW-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.20
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109237296) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
PubChem CID109237296
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cncc(NC3CCS(=O)(=O)C3)c2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c1-11-5-12(2)17(16(19)6-11)22-18(23)13-7-15(9-20-8-13)21-14-3-4-26(24,25)10-14/h5-9,14,21H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyXNKIBWMRRPGNPW-UHFFFAOYSA-N
XLogP3.20
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237272
N-(2-chloro-4,6-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109351769
N-(2-chloro-4,6-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109309164
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109225158
N-(2-chloro-4,6-dimethylphenyl)-5-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109244980
N-(3-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237328
N-(2-chloro-4,6-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240170
N-(2-chloro-4,6-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232696
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-(2-chloro-4,6-dimethylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244973
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102216
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109309149

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (CID 109237296) is N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is Cc1cc(C)c(NC(=O)c2cncc(NC3CCS(=O)(=O)C3)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is XNKIBWMRRPGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-11-5-12(2)17(16(19)6-11)22-18(23)13-7-15(9-20-8-13)21-14-3-4-26(24,25)10-14/h5-9,14,21H,3-4,10H2,1-2H3,(H,22,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109237296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).