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

C26H24FN3O2 — CID 11743365

IUPACN-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCc1cc(C)cc(CN(C)C(=O)c2c(-c3ccc(F)cc3)c3cccnc3c(=O)n2C)c1
InChIInChI=1S/C26H24FN3O2/c1-16-12-17(2)14-18(13-16)15-29(3)26(32)24-22(19-7-9-20(27)10-8-19)21-6-5-11-28-23(21)25(31)30(24)4/h5-14H,15H2,1-4H3
InChIKeyCUNYOKSBVRXIJJ-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.63
Rot. Bonds4

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

N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide (PubChem CID 11743365) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
PubChem CID11743365
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide
SMILESCc1cc(C)cc(CN(C)C(=O)c2c(-c3ccc(F)cc3)c3cccnc3c(=O)n2C)c1
InChIInChI=1S/C26H24FN3O2/c1-16-12-17(2)14-18(13-16)15-29(3)26(32)24-22(19-7-9-20(27)10-8-19)21-6-5-11-28-23(21)25(31)30(24)4/h5-14H,15H2,1-4H3
InChIKeyCUNYOKSBVRXIJJ-UHFFFAOYSA-N
XLogP4.63
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide (CID 11743365) is N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide is Cc1cc(C)cc(CN(C)C(=O)c2c(-c3ccc(F)cc3)c3cccnc3c(=O)n2C)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
The InChIKey is CUNYOKSBVRXIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-16-12-17(2)14-18(13-16)15-29(3)26(32)24-22(19-7-9-20(27)10-8-19)21-6-5-11-28-23(21)25(31)30(24)4/h5-14H,15H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide?
N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-5-(4-fluorophenyl)-N,7-dimethyl-8-oxo-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 11743365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).