2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide

C17H17Cl2N5O3S — CID 162533595

IUPAC2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1nc(=O)n(-c2ccccc2Cl)c2nc(Cl)ccc12
InChIInChI=1S/C17H17Cl2N5O3S/c1-23(2)28(26,27)10-9-20-15-11-7-8-14(19)21-16(11)24(17(25)22-15)13-6-4-3-5-12(13)18/h3-8H,9-10H2,1-2H3,(H,20,22,25)
InChIKeyAJSCNUCGYMAOAE-UHFFFAOYSA-N
MW442.33 g/mol
LogP2.39
Rot. Bonds6

About 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide

2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 162533595) has the molecular formula C17H17Cl2N5O3S and a molecular weight of 442.33 g/mol. Its IUPAC name is 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
PubChem CID162533595
Molecular FormulaC17H17Cl2N5O3S
Molecular Weight442.33 g/mol
Exact Mass441.04
IUPAC Name2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1nc(=O)n(-c2ccccc2Cl)c2nc(Cl)ccc12
InChIInChI=1S/C17H17Cl2N5O3S/c1-23(2)28(26,27)10-9-20-15-11-7-8-14(19)21-16(11)24(17(25)22-15)13-6-4-3-5-12(13)18/h3-8H,9-10H2,1-2H3,(H,20,22,25)
InChIKeyAJSCNUCGYMAOAE-UHFFFAOYSA-N
XLogP2.39
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide 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

1-(2-chlorophenyl)-4-(2-methoxyethylamino)-7-methylpyrido[2,3-d]pyrimidin-2-one
CID 158585099
1-(2-chlorophenyl)-4-[[(2R)-1-hydroxypropan-2-yl]amino]-7-methylpyrido[2,3-d]pyrimidin-2-one
CID 158418655
1-(2-chlorophenyl)-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidin-2-one
CID 156541994
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114176047
1-(2-chlorophenyl)-7-methyl-4-(2,2,2-trifluoroethoxy)pyrido[2,3-d]pyrimidin-2-one
CID 157172748
2-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341647
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(1-fluoroethyl)quinazolin-2-one;hydrofluoride
CID 160669496
2-[(2,6-dichloroquinazolin-4-yl)amino]-N-methyl-N-phenylethanesulfonamide
CID 45380043
7-chloro-1-(2-chlorophenyl)-6-fluoro-4-(methylamino)quinazolin-2-one
CID 159860748
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341655
1-(2-chlorophenyl)-4-(cyclopropylmethylamino)-7-(trifluoromethoxy)quinazolin-2-one
CID 148724212
4-(2-chlorophenyl)-2-cyclopropyl-7-(dimethylamino)-[1,3]thiazolo[4,5-d]pyrimidin-5-one
CID 175971052

Frequently Asked Questions

What is the IUPAC name of 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (CID 162533595) is 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1nc(=O)n(-c2ccccc2Cl)c2nc(Cl)ccc12.
What is the InChIKey of 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The InChIKey is AJSCNUCGYMAOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O3S/c1-23(2)28(26,27)10-9-20-15-11-7-8-14(19)21-16(11)24(17(25)22-15)13-6-4-3-5-12(13)18/h3-8H,9-10H2,1-2H3,(H,20,22,25).
What are the key properties of 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 442.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-chloro-1-(2-chlorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 162533595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).