trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

C18H20N2O3 — CID 95279310

IUPACtrans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC
InChIInChI=1S/C18H20N2O3/c1-3-23-18-15(8-6-10-19-18)20-17(21)14-11-13(14)12-7-4-5-9-16(12)22-2/h4-10,13-14H,3,11H2,1-2H3,(H,20,21)/t13-,14+/m0/s1
InChIKeyFAGVSVCQAOFGOX-UONOGXRCSA-N
MW312.37 g/mol
LogP3.23
Rot. Bonds6

About trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 95279310) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID95279310
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nametrans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC
InChIInChI=1S/C18H20N2O3/c1-3-23-18-15(8-6-10-19-18)20-17(21)14-11-13(14)12-7-4-5-9-16(12)22-2/h4-10,13-14H,3,11H2,1-2H3,(H,20,21)/t13-,14+/m0/s1
InChIKeyFAGVSVCQAOFGOX-UONOGXRCSA-N
XLogP3.23
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 95287527
trans-(1R,2R)-N-(1H-benzimidazol-4-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99564709
N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307616
N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307617
trans-(1R,2R)-2-(2-ethylphenyl)-N-(2-fluoro-3-pyridinyl)cyclopropane-1-carboxamide
CID 166239895
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 95294636
4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210696
trans-(1R,2R)-2-(2-methoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]cyclopropane-1-carboxamide
CID 166236836
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99800995
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99801001
(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 34880061

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 95279310) is trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is CCOc1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC.
What is the InChIKey of trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is FAGVSVCQAOFGOX-UONOGXRCSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-18-15(8-6-10-19-18)20-17(21)14-11-13(14)12-7-4-5-9-16(12)22-2/h4-10,13-14H,3,11H2,1-2H3,(H,20,21)/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95279310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).