5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide

C32H23F3N6O4 — CID 159799034

IUPAC5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
SMILESCOc1cccc(-c2cncc3ncc(C(N)=O)cc23)c1.NC(=O)c1cnc2cncc(-c3cccc(OC(F)(F)F)c3)c2c1
InChIInChI=1S/C16H10F3N3O2.C16H13N3O2/c17-16(18,19)24-11-3-1-2-9(4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;1-21-12-4-2-3-10(5-12)14-8-18-9-15-13(14)6-11(7-19-15)16(17)20/h1-8H,(H2,20,23);2-9H,1H3,(H2,17,20)
InChIKeyNJNWTXRGVFJHBM-UHFFFAOYSA-N
MW612.57 g/mol
LogP5.70
Rot. Bonds6

About 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide

5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide (PubChem CID 159799034) has the molecular formula C32H23F3N6O4 and a molecular weight of 612.57 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
PubChem CID159799034
Molecular FormulaC32H23F3N6O4
Molecular Weight612.57 g/mol
Exact Mass612.17
IUPAC Name5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
SMILESCOc1cccc(-c2cncc3ncc(C(N)=O)cc23)c1.NC(=O)c1cnc2cncc(-c3cccc(OC(F)(F)F)c3)c2c1
InChIInChI=1S/C16H10F3N3O2.C16H13N3O2/c17-16(18,19)24-11-3-1-2-9(4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;1-21-12-4-2-3-10(5-12)14-8-18-9-15-13(14)6-11(7-19-15)16(17)20/h1-8H,(H2,20,23);2-9H,1H3,(H2,17,20)
InChIKeyNJNWTXRGVFJHBM-UHFFFAOYSA-N
XLogP5.70
TPSA156.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.57
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-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 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide (CID 159799034) is 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide is COc1cccc(-c2cncc3ncc(C(N)=O)cc23)c1.NC(=O)c1cnc2cncc(-c3cccc(OC(F)(F)F)c3)c2c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
The InChIKey is NJNWTXRGVFJHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2.C16H13N3O2/c17-16(18,19)24-11-3-1-2-9(4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;1-21-12-4-2-3-10(5-12)14-8-18-9-15-13(14)6-11(7-19-15)16(17)20/h1-8H,(H2,20,23);2-9H,1H3,(H2,17,20).
What are the key properties of 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide has a molecular weight of 612.57 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 159799034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).