N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide

C25H21Cl2N3O2 — CID 10096063

IUPACN-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)N(C)Cc3cc(Cl)cc(Cl)c3)n(C)c(=O)c3ncccc23)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-28-22(20)24(31)30(3)23(21)25(32)29(2)14-16-11-18(26)13-19(27)12-16/h4-13H,14H2,1-3H3
InChIKeyVPZHHFGGFNADGH-UHFFFAOYSA-N
MW466.37 g/mol
LogP5.49
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide

N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide (PubChem CID 10096063) has the molecular formula C25H21Cl2N3O2 and a molecular weight of 466.37 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide
PubChem CID10096063
Molecular FormulaC25H21Cl2N3O2
Molecular Weight466.37 g/mol
Exact Mass465.10
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCc1ccc(-c2c(C(=O)N(C)Cc3cc(Cl)cc(Cl)c3)n(C)c(=O)c3ncccc23)cc1
InChIInChI=1S/C25H21Cl2N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-28-22(20)24(31)30(3)23(21)25(32)29(2)14-16-11-18(26)13-19(27)12-16/h4-13H,14H2,1-3H3
InChIKeyVPZHHFGGFNADGH-UHFFFAOYSA-N
XLogP5.49
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide (CID 10096063) is N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide is Cc1ccc(-c2c(C(=O)N(C)Cc3cc(Cl)cc(Cl)c3)n(C)c(=O)c3ncccc23)cc1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide?
The InChIKey is VPZHHFGGFNADGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2/c1-15-6-8-17(9-7-15)21-20-5-4-10-28-22(20)24(31)30(3)23(21)25(32)29(2)14-16-11-18(26)13-19(27)12-16/h4-13H,14H2,1-3H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide has a molecular weight of 466.37 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-N,7-dimethyl-5-(4-methylphenyl)-8-oxo-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 10096063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).