N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide

C24H15Cl3N4O2 — CID 11785274

IUPACN-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C24H15Cl3N4O2/c1-12(32)29-22-18-10-17(13-3-5-14(25)6-4-13)21(16-8-7-15(26)9-20(16)27)30-23(18)31(2)24(33)19(22)11-28/h3-10H,1-2H3,(H,29,32)
InChIKeyWUKAECDVNMFOSF-UHFFFAOYSA-N
MW497.77 g/mol
LogP6.06
Rot. Bonds3

About N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide

N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 11785274) has the molecular formula C24H15Cl3N4O2 and a molecular weight of 497.77 g/mol. Its IUPAC name is N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID11785274
Molecular FormulaC24H15Cl3N4O2
Molecular Weight497.77 g/mol
Exact Mass496.03
IUPAC NameN-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C24H15Cl3N4O2/c1-12(32)29-22-18-10-17(13-3-5-14(25)6-4-13)21(16-8-7-15(26)9-20(16)27)30-23(18)31(2)24(33)19(22)11-28/h3-10H,1-2H3,(H,29,32)
InChIKeyWUKAECDVNMFOSF-UHFFFAOYSA-N
XLogP6.06
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.77
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Naphthyridinone
CID 11386747
N-(5-(4-chlorophenyl)-3-cyano-6-(2,4-dichlorophenyl)pyridin-2-yl)pivalamide
CID 10195276
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1,3-dimethyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11167681
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methoxyethyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11192215
3-acetyl-4-amino-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-1,8-naphthyridin-2(1H)-one
CID 11260007
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11283445
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)-2-methoxyacetamide
CID 11318758
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)-2-hydroxyacetamide
CID 11341568
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-isopropyl-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11386749
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-isobutyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11410344
N-(6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-3-methoxy-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11443469
N-(3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-hydroxyethyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-4-yl)acetamide
CID 11444148

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 11785274) is N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is CC(=O)Nc1c(C#N)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is WUKAECDVNMFOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3N4O2/c1-12(32)29-22-18-10-17(13-3-5-14(25)6-4-13)21(16-8-7-15(26)9-20(16)27)30-23(18)31(2)24(33)19(22)11-28/h3-10H,1-2H3,(H,29,32).
What are the key properties of N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 497.77 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenyl)-3-cyano-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 11785274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).