N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide

C18H20ClN3O3S — CID 109193318

IUPACN-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N(C)C3CCS(=O)(=O)C3)cn2)cc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-12-3-4-13(9-16(12)19)21-18(23)17-6-5-14(10-20-17)22(2)15-7-8-26(24,25)11-15/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyCBKOEVZAGSEARX-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.92
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide (PubChem CID 109193318) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
PubChem CID109193318
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N(C)C3CCS(=O)(=O)C3)cn2)cc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-12-3-4-13(9-16(12)19)21-18(23)17-6-5-14(10-20-17)22(2)15-7-8-26(24,25)11-15/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,21,23)
InChIKeyCBKOEVZAGSEARX-UHFFFAOYSA-N
XLogP2.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109193326
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109193321
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 109193306
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183862
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pentylpyridine-2-carboxamide
CID 109193284
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193310
N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109215100
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113165059
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122798
5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carbothioamide
CID 115488276
N-(4-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carboxamide
CID 109331452
N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carboxamide
CID 109331451

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide (CID 109193318) is N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(N(C)C3CCS(=O)(=O)C3)cn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The InChIKey is CBKOEVZAGSEARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-12-3-4-13(9-16(12)19)21-18(23)17-6-5-14(10-20-17)22(2)15-7-8-26(24,25)11-15/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109193318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).