N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide

C36H28F3N3O4 — CID 175540778

IUPACN-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide
SMILESNC(=O)c1cccc2ccccc12.O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C25H19F3N2O3.C11H9NO/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-14,22,31H,15H2,(H,30,32);1-7H,(H2,12,13)
InChIKeyFGMMFNDECTZNCH-UHFFFAOYSA-N
MW623.63 g/mol
LogP7.45
Rot. Bonds7

About N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide

N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide (PubChem CID 175540778) has the molecular formula C36H28F3N3O4 and a molecular weight of 623.63 g/mol. Its IUPAC name is N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide
PubChem CID175540778
Molecular FormulaC36H28F3N3O4
Molecular Weight623.63 g/mol
Exact Mass623.20
IUPAC NameN-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide
SMILESNC(=O)c1cccc2ccccc12.O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C25H19F3N2O3.C11H9NO/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-14,22,31H,15H2,(H,30,32);1-7H,(H2,12,13)
InChIKeyFGMMFNDECTZNCH-UHFFFAOYSA-N
XLogP7.45
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.63
LogP ≤ 57.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213959
2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 157084878
5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide
CID 176698697
N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155262090
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[(2R,3S)-4-amino-3-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223368
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213843
N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
CID 155713246
N-[2-(4-bromo-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155254814
methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161221161
N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214031

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide?
The IUPAC name of N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide (CID 175540778) is N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide is NC(=O)c1cccc2ccccc12.O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide?
The InChIKey is FGMMFNDECTZNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3.C11H9NO/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-14,22,31H,15H2,(H,30,32);1-7H,(H2,12,13).
What are the key properties of N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide?
N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide has a molecular weight of 623.63 g/mol, XLogP of 7.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide is sourced from PubChem (CID 175540778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).