N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide

C23H17Cl2N3O2 — CID 59833938

IUPACN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(-c3cc4cnccc4n(C)c3=O)c2Cl)c1
InChIInChI=1S/C23H17Cl2N3O2/c1-13-4-3-5-14(10-13)22(29)27-18-7-6-17(24)20(21(18)25)16-11-15-12-26-9-8-19(15)28(2)23(16)30/h3-12H,1-2H3,(H,27,29)
InChIKeyAGKJWZBSQSOOLI-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.47
Rot. Bonds3

About N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide

N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide (PubChem CID 59833938) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide
PubChem CID59833938
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC NameN-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Cl)c(-c3cc4cnccc4n(C)c3=O)c2Cl)c1
InChIInChI=1S/C23H17Cl2N3O2/c1-13-4-3-5-14(10-13)22(29)27-18-7-6-17(24)20(21(18)25)16-11-15-12-26-9-8-19(15)28(2)23(16)30/h3-12H,1-2H3,(H,27,29)
InChIKeyAGKJWZBSQSOOLI-UHFFFAOYSA-N
XLogP5.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide 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-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
CID 59833886
3-bromo-N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]benzamide
CID 59833874
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-4-(methylamino)benzamide
CID 143032077
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbutanamide
CID 59833815
N-[2,4-dichloro-3-(1-ethyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 59833883
N-[2,4-dichloro-3-[8-methyl-2-(3-methylsulfanylanilino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 59833850
N-(3-hydroxy-4-pyridinyl)-3-methylbenzamide
CID 66624966
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-3-methylbenzamide
CID 50793143
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209652

Frequently Asked Questions

What is the IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide (CID 59833938) is N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Cl)c(-c3cc4cnccc4n(C)c3=O)c2Cl)c1.
What is the InChIKey of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide?
The InChIKey is AGKJWZBSQSOOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-13-4-3-5-14(10-13)22(29)27-18-7-6-17(24)20(21(18)25)16-11-15-12-26-9-8-19(15)28(2)23(16)30/h3-12H,1-2H3,(H,27,29).
What are the key properties of N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide?
N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide has a molecular weight of 438.31 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dichloro-3-(1-methyl-2-oxo-1,6-naphthyridin-3-yl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 59833938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).