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

C18H20ClN3O3S — CID 109215100

IUPACN-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(N(C)C2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C18H20ClN3O3S/c1-12-9-13(19)3-4-16(12)21-18(23)17-10-14(5-7-20-17)22(2)15-6-8-26(24,25)11-15/h3-5,7,9-10,15H,6,8,11H2,1-2H3,(H,21,23)
InChIKeyYSTOKEFFXSMSEE-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.92
Rot. Bonds4

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

N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide (PubChem CID 109215100) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
PubChem CID109215100
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(N(C)C2CCS(=O)(=O)C2)ccn1
InChIInChI=1S/C18H20ClN3O3S/c1-12-9-13(19)3-4-16(12)21-18(23)17-10-14(5-7-20-17)22(2)15-6-8-26(24,25)11-15/h3-5,7,9-10,15H,6,8,11H2,1-2H3,(H,21,23)
InChIKeyYSTOKEFFXSMSEE-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-(4-chloro-2-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109159447
N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109201729
4-N-(4-chloro-2-methylphenyl)-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 112896206
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-2-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109088395
N-(2,3-dimethylphenyl)-4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109215809
4-[benzyl(methyl)amino]-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109211074
N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109193318
N-(2,5-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109309308
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109215813
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193310
2-N-(4-chloro-2-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078521
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109215799

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide (CID 109215100) is N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(N(C)C2CCS(=O)(=O)C2)ccn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
The InChIKey is YSTOKEFFXSMSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-12-9-13(19)3-4-16(12)21-18(23)17-10-14(5-7-20-17)22(2)15-6-8-26(24,25)11-15/h3-5,7,9-10,15H,6,8,11H2,1-2H3,(H,21,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-4-[(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-(4-chloro-2-methylphenyl)-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109215100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).