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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).