N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C52H42F6N4O6 — CID 161379179

IUPACN-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](CCO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(N[C@H](CCO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/2C26H21F3N2O3/c2*27-26(28,29)19-8-10-20(11-9-19)34-24-6-3-4-17-16-18(7-12-21(17)24)25(33)31-23(13-15-32)22-5-1-2-14-30-22/h2*1-12,14,16,23,32H,13,15H2,(H,31,33)/t2*23-/m10/s1
InChIKeyVRMJMVZLNCZDAH-MLIKNUSNSA-N
MW932.92 g/mol
LogP11.80
Rot. Bonds14

About N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 161379179) has the molecular formula C52H42F6N4O6 and a molecular weight of 932.92 g/mol. Its IUPAC name is N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID161379179
Molecular FormulaC52H42F6N4O6
Molecular Weight932.92 g/mol
Exact Mass932.30
IUPAC NameN-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](CCO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(N[C@H](CCO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/2C26H21F3N2O3/c2*27-26(28,29)19-8-10-20(11-9-19)34-24-6-3-4-17-16-18(7-12-21(17)24)25(33)31-23(13-15-32)22-5-1-2-14-30-22/h2*1-12,14,16,23,32H,13,15H2,(H,31,33)/t2*23-/m10/s1
InChIKeyVRMJMVZLNCZDAH-MLIKNUSNSA-N
XLogP11.80
TPSA142.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.92
LogP ≤ 511.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-{[7-({[3-(Aminomethyl)-5-(trifluoromethyl)phenyl]amino}carbonyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy}-N-methylpyridine-2-carboxamide
CID 23585320
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 54755602
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-vinylpyridin-3-yl)methyl]-2-naphthamide
CID 54755721
N-[(1S,2S)-2-Hydroxycyclohexyl]-1-methoxy-4-[(6-ethylpyridin-3-yl)methyl]-2-naphthamide
CID 71280872
US11845730, Example 103
CID 165143837
4-(2-{[7-(5-Phenyl-pyridin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 44352316
4-(4-cyanophenyl)-N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]benzamide
CID 44532819
N-[4-[4-[1-(pyridin-4-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532820
4-(4-cyanophenyl)-N-[4-[4-[1-(pyridin-2-ylmethoxy)-5,6,7,8-tetrahydronaphthalen-2-yl]piperidin-1-yl]butyl]benzamide
CID 44532824
(2R)-2-benzyl-3-[4-propoxy-3-[[(4-pyridin-2-ylbenzoyl)amino]methyl]phenyl]propanoic acid
CID 71584601
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methoxy-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 76310997
4-[(4-cyano-4-pyridin-2-ylpiperidin-1-yl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide
CID 76329079

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 161379179) is N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is O=C(N[C@@H](CCO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(N[C@H](CCO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is VRMJMVZLNCZDAH-MLIKNUSNSA-N. The full InChI is InChI=1S/2C26H21F3N2O3/c2*27-26(28,29)19-8-10-20(11-9-19)34-24-6-3-4-17-16-18(7-12-21(17)24)25(33)31-23(13-15-32)22-5-1-2-14-30-22/h2*1-12,14,16,23,32H,13,15H2,(H,31,33)/t2*23-/m10/s1.
What are the key properties of N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 932.92 g/mol, XLogP of 11.80, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-3-hydroxy-1-pyridin-2-ylpropyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 161379179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).