8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide

C23H17F3N4O2 — CID 3631905

IUPAC8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc(-c2cncc3ccc(C(=O)NCc4ccc(C(F)(F)F)nc4)nc23)cc1
InChIInChI=1S/C23H17F3N4O2/c1-32-17-6-3-15(4-7-17)18-13-27-12-16-5-8-19(30-21(16)18)22(31)29-11-14-2-9-20(28-10-14)23(24,25)26/h2-10,12-13H,11H2,1H3,(H,29,31)
InChIKeyMLQMZUAFSULWFP-UHFFFAOYSA-N
MW438.41 g/mol
LogP4.65
Rot. Bonds5

About 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide

8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 3631905) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID3631905
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC Name8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc(-c2cncc3ccc(C(=O)NCc4ccc(C(F)(F)F)nc4)nc23)cc1
InChIInChI=1S/C23H17F3N4O2/c1-32-17-6-3-15(4-7-17)18-13-27-12-16-5-8-19(30-21(16)18)22(31)29-11-14-2-9-20(28-10-14)23(24,25)26/h2-10,12-13H,11H2,1H3,(H,29,31)
InChIKeyMLQMZUAFSULWFP-UHFFFAOYSA-N
XLogP4.65
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-methoxyphenyl)pyridine-2-carboxamide
CID 68187495
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
Quinoline derivative 3
CID 89554768
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 10895039
N-[2-[(2S)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164624962
N-(2-methoxybenzyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3554156
2-(3-methoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 1012146
N-(4-methoxyphenyl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 16432965
8-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 4384722
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11567928
N-(3,5-Dimethyl-4-pyridinyl)-2-(trifluoromethyl)-8-methoxyquinoline-5-carboxamide
CID 11740167

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide (CID 3631905) is 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide is COc1ccc(-c2cncc3ccc(C(=O)NCc4ccc(C(F)(F)F)nc4)nc23)cc1.
What is the InChIKey of 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is MLQMZUAFSULWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c1-32-17-6-3-15(4-7-17)18-13-27-12-16-5-8-19(30-21(16)18)22(31)29-11-14-2-9-20(28-10-14)23(24,25)26/h2-10,12-13H,11H2,1H3,(H,29,31).
What are the key properties of 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 3631905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).