N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C50H36F6N4O6 — CID 177062743

IUPACN-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)c(-c3ccc([C@@H](CO)NC(=O)c4ccc5c(Oc6ccc(C(F)(F)F)cc6)cccc5c4)nc3)ccc2c1
InChIInChI=1S/C50H36F6N4O6/c51-49(52,53)34-11-15-36(16-12-34)65-45-6-3-4-29-24-31(8-19-38(29)45)47(63)60-44(28-62)42-22-10-33(26-58-42)40-20-7-30-25-32(48(64)59-43(27-61)41-5-1-2-23-57-41)9-21-39(30)46(40)66-37-17-13-35(14-18-37)50(54,55)56/h1-26,43-44,61-62H,27-28H2,(H,59,64)(H,60,63)/t43-,44+/m0/s1
InChIKeyQRGSDLGNFWEOQL-JCGOJSMZSA-N
MW902.85 g/mol
LogP11.00
Rot. Bonds13

About N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 177062743) has the molecular formula C50H36F6N4O6 and a molecular weight of 902.85 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID177062743
Molecular FormulaC50H36F6N4O6
Molecular Weight902.85 g/mol
Exact Mass902.25
IUPAC NameN-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)c(-c3ccc([C@@H](CO)NC(=O)c4ccc5c(Oc6ccc(C(F)(F)F)cc6)cccc5c4)nc3)ccc2c1
InChIInChI=1S/C50H36F6N4O6/c51-49(52,53)34-11-15-36(16-12-34)65-45-6-3-4-29-24-31(8-19-38(29)45)47(63)60-44(28-62)42-22-10-33(26-58-42)40-20-7-30-25-32(48(64)59-43(27-61)41-5-1-2-23-57-41)9-21-39(30)46(40)66-37-17-13-35(14-18-37)50(54,55)56/h1-26,43-44,61-62H,27-28H2,(H,59,64)(H,60,63)/t43-,44+/m0/s1
InChIKeyQRGSDLGNFWEOQL-JCGOJSMZSA-N
XLogP11.00
TPSA142.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.85
LogP ≤ 511.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide with MolForge

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Related Compounds

2-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-2-(morpholin-4-ylmethyl)phenyl]phenoxy]-5-fluoro-N-[4-[(2-hydroxy-5-methylbenzoyl)amino]cyclohexyl]pyridine-3-carboxamide
CID 59190451
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
Hydroxyethylamine-based inhibitor 17d
CID 6539271
4-(2-{[7-(5-Phenyl-pyridin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 44352316
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
N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-pyridin-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 76336368

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 177062743) is N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is O=C(N[C@@H](CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)c(-c3ccc([C@@H](CO)NC(=O)c4ccc5c(Oc6ccc(C(F)(F)F)cc6)cccc5c4)nc3)ccc2c1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is QRGSDLGNFWEOQL-JCGOJSMZSA-N. The full InChI is InChI=1S/C50H36F6N4O6/c51-49(52,53)34-11-15-36(16-12-34)65-45-6-3-4-29-24-31(8-19-38(29)45)47(63)60-44(28-62)42-22-10-33(26-58-42)40-20-7-30-25-32(48(64)59-43(27-61)41-5-1-2-23-57-41)9-21-39(30)46(40)66-37-17-13-35(14-18-37)50(54,55)56/h1-26,43-44,61-62H,27-28H2,(H,59,64)(H,60,63)/t43-,44+/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 902.85 g/mol, XLogP of 11.00, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-6-[6-[(1S)-2-hydroxy-1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]-3-pyridinyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 177062743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).