trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide

C18H20N2O3 — CID 138021994

IUPACtrans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1cnccc1NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1
InChIInChI=1S/C18H20N2O3/c1-11(2)23-17-10-19-7-6-16(17)20-18(22)15-9-14(15)12-4-3-5-13(21)8-12/h3-8,10-11,14-15,21H,9H2,1-2H3,(H,19,20,22)/t14-,15+/m0/s1
InChIKeyBZDXAIUBWQBISH-LSDHHAIUSA-N
MW312.37 g/mol
LogP3.32
Rot. Bonds5

About trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 138021994) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide
PubChem CID138021994
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nametrans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide
SMILESCC(C)Oc1cnccc1NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1
InChIInChI=1S/C18H20N2O3/c1-11(2)23-17-10-19-7-6-16(17)20-18(22)15-9-14(15)12-4-3-5-13(21)8-12/h3-8,10-11,14-15,21H,9H2,1-2H3,(H,19,20,22)/t14-,15+/m0/s1
InChIKeyBZDXAIUBWQBISH-LSDHHAIUSA-N
XLogP3.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

(2R,4S,5S,7S)-5-amino-N-butyl-7-{[4-tert-butyl-3-(pyridin-4-ylmethoxy)phenyl]methyl}-4-hydroxy-2,8-dimethylnonanamide
CID 23644729
2-(3-methylphenoxy)-N-(4-pyridinyl)acetamide
CID 814788
N-Ethyl-N-isopropyl-3-methyl-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide
CID 9820034
2-(4-Isopropyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 798146
2-(2,5-dimethylphenoxy)-N-(pyridin-4-yl)acetamide
CID 807261
2-(4-tert-pentylphenoxy)-N-(4-pyridinyl)acetamide
CID 839550
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide
CID 893207
2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide
CID 24765020
N-{3-[4-(6-Isopropoxypyridin-3-yloxy)phenyl]-1-methylpropyl}cyclopropanecarboxamide
CID 49855401
N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]cyclopropanecarboxamide
CID 49855600
(1S,2S)-2-Phenyl-cyclopropanecarboxylic acid [(S)-1-(6-isopropoxy-pyridin-3-yl)-ethyl]-amide
CID 71201914
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 71201939

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide (CID 138021994) is trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide is CC(C)Oc1cnccc1NC(=O)[C@@H]1C[C@H]1c1cccc(O)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is BZDXAIUBWQBISH-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11(2)23-17-10-19-7-6-16(17)20-18(22)15-9-14(15)12-4-3-5-13(21)8-12/h3-8,10-11,14-15,21H,9H2,1-2H3,(H,19,20,22)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138021994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).