N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C25H23N3O2 — CID 7620565

IUPACN-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)Nc3ccc(C)c(C)c3)cc3cccnc32)cc1
InChIInChI=1S/C25H23N3O2/c1-16-6-9-19(10-7-16)15-28-23-20(5-4-12-26-23)14-22(25(28)30)24(29)27-21-11-8-17(2)18(3)13-21/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyBVCLBXNOKTUDSM-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.62
Rot. Bonds4

About N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620565) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID7620565
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCc1ccc(Cn2c(=O)c(C(=O)Nc3ccc(C)c(C)c3)cc3cccnc32)cc1
InChIInChI=1S/C25H23N3O2/c1-16-6-9-19(10-7-16)15-28-23-20(5-4-12-26-23)14-22(25(28)30)24(29)27-21-11-8-17(2)18(3)13-21/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyBVCLBXNOKTUDSM-UHFFFAOYSA-N
XLogP4.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620568
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620583
N-(2-ethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620518
1-[(4-methylphenyl)methyl]-2-oxo-N-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-1,8-naphthyridine-3-carboxamide
CID 43996050
N-(2-methyl-5-nitrophenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996009
1-[(4-methylphenyl)methyl]-2-oxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-1,8-naphthyridine-3-carboxamide
CID 43996027
N-benzyl-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620472
1-[(2-fluorophenyl)methyl]-N-(4-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7621018
1-[(4-methylphenyl)methyl]-2-oxo-N-prop-2-enyl-1,8-naphthyridine-3-carboxamide
CID 7620412
1-[(4-fluorophenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620827
N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996288
N-[3-(dimethylamino)propyl]-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620437

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620565) is N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1ccc(Cn2c(=O)c(C(=O)Nc3ccc(C)c(C)c3)cc3cccnc32)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is BVCLBXNOKTUDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-6-9-19(10-7-16)15-28-23-20(5-4-12-26-23)14-22(25(28)30)24(29)27-21-11-8-17(2)18(3)13-21/h4-14H,15H2,1-3H3,(H,27,29).
What are the key properties of N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).