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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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).