7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C26H21F3N2O2 — CID 175159865

IUPAC7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NC(C)c3ccccn3)cc2c1
InChIInChI=1S/C26H21F3N2O2/c1-16(24-5-3-4-12-30-24)31-25(32)18-8-11-22-19(13-18)14-21(33-2)15-23(22)17-6-9-20(10-7-17)26(27,28)29/h3-16H,1-2H3,(H,31,32)
InChIKeyKJBNSFSWLWFEJY-UHFFFAOYSA-N
MW450.46 g/mol
LogP6.42
Rot. Bonds5

About 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 175159865) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID175159865
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Name7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NC(C)c3ccccn3)cc2c1
InChIInChI=1S/C26H21F3N2O2/c1-16(24-5-3-4-12-30-24)31-25(32)18-8-11-22-19(13-18)14-21(33-2)15-23(22)17-6-9-20(10-7-17)26(27,28)29/h3-16H,1-2H3,(H,31,32)
InChIKeyKJBNSFSWLWFEJY-UHFFFAOYSA-N
XLogP6.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]-1-[4-(trifluoromethyl)phenyl]isoquinoline-6-carboxamide
CID 166552466
6-methoxy-N-(1-pyridin-2-ylethyl)-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155213963
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 147223131
N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213959
4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide
CID 176741241
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine
CID 45378002
ethanesulfonic acid;N-(1-pyridin-2-ylethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10283066
4-[(4-methoxyphenyl)sulfamoyl]-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 25391222
N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 151494065
1-ethyl-4-(4-methoxyphenyl)-N-[(1R)-1-pyridin-2-ylethyl]pyrrole-2-carboxamide
CID 95114040
N-[(1S)-1-pyridin-2-ylethyl]-1-[4-(trifluoromethyl)piperidin-1-yl]isoquinoline-6-carboxamide
CID 166552484

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 175159865) is 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is COc1cc(-c2ccc(C(F)(F)F)cc2)c2ccc(C(=O)NC(C)c3ccccn3)cc2c1.
What is the InChIKey of 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is KJBNSFSWLWFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c1-16(24-5-3-4-12-30-24)31-25(32)18-8-11-22-19(13-18)14-21(33-2)15-23(22)17-6-9-20(10-7-17)26(27,28)29/h3-16H,1-2H3,(H,31,32).
What are the key properties of 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 175159865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).