N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C22H20N6O4S — CID 43995816

IUPACN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccnc4n(C)c3=O)cc2)nc(C)n1
InChIInChI=1S/C22H20N6O4S/c1-13-11-19(25-14(2)24-13)27-33(31,32)17-8-6-16(7-9-17)26-21(29)18-12-15-5-4-10-23-20(15)28(3)22(18)30/h4-12H,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyNENRTITUYHVGPM-UHFFFAOYSA-N
MW464.51 g/mol
LogP2.39
Rot. Bonds5

About N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 43995816) has the molecular formula C22H20N6O4S and a molecular weight of 464.51 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID43995816
Molecular FormulaC22H20N6O4S
Molecular Weight464.51 g/mol
Exact Mass464.13
IUPAC NameN-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccnc4n(C)c3=O)cc2)nc(C)n1
InChIInChI=1S/C22H20N6O4S/c1-13-11-19(25-14(2)24-13)27-33(31,32)17-8-6-16(7-9-17)26-21(29)18-12-15-5-4-10-23-20(15)28(3)22(18)30/h4-12H,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyNENRTITUYHVGPM-UHFFFAOYSA-N
XLogP2.39
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]naphthalene-1-carboxamide
CID 4132833
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide
CID 4793489
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 121067088
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2401409
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1189337
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
1-[(4-chlorophenyl)methyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996361
3-cyano-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 2095364

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 43995816) is N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cccnc4n(C)c3=O)cc2)nc(C)n1.
What is the InChIKey of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is NENRTITUYHVGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4S/c1-13-11-19(25-14(2)24-13)27-33(31,32)17-8-6-16(7-9-17)26-21(29)18-12-15-5-4-10-23-20(15)28(3)22(18)30/h4-12H,1-3H3,(H,26,29)(H,24,25,27).
What are the key properties of N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 464.51 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 43995816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).