trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide

C28H25N3O2 — CID 66962407

IUPACtrans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C28H25N3O2/c32-27(25-17-24(25)20-9-3-1-4-10-20)31-26(21-11-5-2-6-12-21)28(33,22-13-7-15-29-18-22)23-14-8-16-30-19-23/h1-16,18-19,24-26,33H,17H2,(H,31,32)/t24-,25+,26+/m0/s1
InChIKeyFKSXGEMTMULUJR-JIMJEQGWSA-N
MW435.53 g/mol
LogP4.37
Rot. Bonds7

About trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 66962407) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID66962407
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Nametrans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C28H25N3O2/c32-27(25-17-24(25)20-9-3-1-4-10-20)31-26(21-11-5-2-6-12-21)28(33,22-13-7-15-29-18-22)23-14-8-16-30-19-23/h1-16,18-19,24-26,33H,17H2,(H,31,32)/t24-,25+,26+/m0/s1
InChIKeyFKSXGEMTMULUJR-JIMJEQGWSA-N
XLogP4.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
CID 86777242
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167
N-[2-[[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]amino]-2-oxoethyl]benzamide
CID 69101909
N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-3-methoxybenzamide
CID 77212044
N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylmethoxyacetamide
CID 57425636
2-pyridin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 49323730
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515
methyl (2R)-3,3-dimethyl-2-[[(1R,2R)-2-pyridin-3-ylcyclopropanecarbonyl]amino]butanoate
CID 129428950
4-amino-3-hydroxy-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)-2-(2-phenylethyl)butanamide
CID 70796512
cis-(1R,2S)-2-phenyl-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]cyclopropane-1-carboxamide
CID 40573364

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide (CID 66962407) is trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide is O=C(N[C@H](c1ccccc1)C(O)(c1cccnc1)c1cccnc1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is FKSXGEMTMULUJR-JIMJEQGWSA-N. The full InChI is InChI=1S/C28H25N3O2/c32-27(25-17-24(25)20-9-3-1-4-10-20)31-26(21-11-5-2-6-12-21)28(33,22-13-7-15-29-18-22)23-14-8-16-30-19-23/h1-16,18-19,24-26,33H,17H2,(H,31,32)/t24-,25+,26+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 66962407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).