N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide

C26H31N3O3 — CID 86288969

IUPACN-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H](COCc1cccc(-c2ccccn2)n1)[C@H](O)c1ccccc1
InChIInChI=1S/C26H31N3O3/c1-2-3-5-16-25(30)29-24(26(31)20-11-6-4-7-12-20)19-32-18-21-13-10-15-23(28-21)22-14-8-9-17-27-22/h4,6-15,17,24,26,31H,2-3,5,16,18-19H2,1H3,(H,29,30)/t24-,26+/m0/s1
InChIKeyOOIDUPZQOKFSOW-AZGAKELHSA-N
MW433.55 g/mol
LogP4.46
Rot. Bonds12

About N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide

N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide (PubChem CID 86288969) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide
PubChem CID86288969
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide
SMILESCCCCCC(=O)N[C@@H](COCc1cccc(-c2ccccn2)n1)[C@H](O)c1ccccc1
InChIInChI=1S/C26H31N3O3/c1-2-3-5-16-25(30)29-24(26(31)20-11-6-4-7-12-20)19-32-18-21-13-10-15-23(28-21)22-14-8-9-17-27-22/h4,6-15,17,24,26,31H,2-3,5,16,18-19H2,1H3,(H,29,30)/t24-,26+/m0/s1
InChIKeyOOIDUPZQOKFSOW-AZGAKELHSA-N
XLogP4.46
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide (CID 86288969) is N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide is CCCCCC(=O)N[C@@H](COCc1cccc(-c2ccccn2)n1)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide?
The InChIKey is OOIDUPZQOKFSOW-AZGAKELHSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-2-3-5-16-25(30)29-24(26(31)20-11-6-4-7-12-20)19-32-18-21-13-10-15-23(28-21)22-14-8-9-17-27-22/h4,6-15,17,24,26,31H,2-3,5,16,18-19H2,1H3,(H,29,30)/t24-,26+/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide?
N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide has a molecular weight of 433.55 g/mol, XLogP of 4.46, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-phenyl-3-[(6-pyridin-2-yl-2-pyridinyl)methoxy]propan-2-yl]hexanamide is sourced from PubChem (CID 86288969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).