3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

C17H12F3N3O2 — CID 75202889

IUPAC3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCc1cc2cncc(-c3ccc(OC(F)(F)F)cc3)c2nc1C(N)=O
InChIInChI=1S/C17H12F3N3O2/c1-9-6-11-7-22-8-13(15(11)23-14(9)16(21)24)10-2-4-12(5-3-10)25-17(18,19)20/h2-8H,1H3,(H2,21,24)
InChIKeyIQTKCOUDJUTWAY-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.60
Rot. Bonds3

About 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 75202889) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID75202889
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC Name3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCc1cc2cncc(-c3ccc(OC(F)(F)F)cc3)c2nc1C(N)=O
InChIInChI=1S/C17H12F3N3O2/c1-9-6-11-7-22-8-13(15(11)23-14(9)16(21)24)10-2-4-12(5-3-10)25-17(18,19)20/h2-8H,1H3,(H2,21,24)
InChIKeyIQTKCOUDJUTWAY-UHFFFAOYSA-N
XLogP3.60
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Quinoline derivative 3
CID 89554768
2-(3-methoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 1012146
8-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 4384722
N-[(S)-(4-methoxyphenyl)-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 71144099
N-[(S)-[4-(trifluoromethoxy)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]quinoline-7-carboxamide
CID 89310581
2-(3-methoxyphenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 1359156
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)picolinamide
CID 54587759
(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-pyridin-2-ylprop-2-en-1-one
CID 71570952
6-[4-(4-Fluorophenoxy)phenyl]-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 56943458
6-[4-(4-Fluorophenoxy)phenyl]-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 56943459
6-[4-(4-Fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 56943460
7-[1-[6-(Fluoromethyl)-3-pyridinyl]propan-2-yl]-4-(4-methoxyphenyl)quinoline-2-carboxamide
CID 71565964

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (CID 75202889) is 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is Cc1cc2cncc(-c3ccc(OC(F)(F)F)cc3)c2nc1C(N)=O.
What is the InChIKey of 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is IQTKCOUDJUTWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c1-9-6-11-7-22-8-13(15(11)23-14(9)16(21)24)10-2-4-12(5-3-10)25-17(18,19)20/h2-8H,1H3,(H2,21,24).
What are the key properties of 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 75202889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).