trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide

C19H20N2O3 — CID 89367782

IUPACtrans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC=O)nc1
InChIInChI=1S/C19H20N2O3/c1-13(15-7-8-18(20-12-15)24-10-9-22)21-19(23)17-11-16(17)14-5-3-2-4-6-14/h2-9,12-13,16-17H,10-11H2,1H3,(H,21,23)/t13-,16+,17-/m0/s1
InChIKeySZMWOXALBYTDKS-XKQJLSEDSA-N
MW324.38 g/mol
LogP2.64
Rot. Bonds7

About trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 89367782) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID89367782
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Nametrans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC=O)nc1
InChIInChI=1S/C19H20N2O3/c1-13(15-7-8-18(20-12-15)24-10-9-22)21-19(23)17-11-16(17)14-5-3-2-4-6-14/h2-9,12-13,16-17H,10-11H2,1H3,(H,21,23)/t13-,16+,17-/m0/s1
InChIKeySZMWOXALBYTDKS-XKQJLSEDSA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-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

Related Compounds

2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]oxy]ethanol;trans-(1S,2S)-N-[(1S)-1-[6-(cyanomethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[(1S)-1-[6-(2-hydroxyethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide;trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 159251558
N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 78034986
trans-(1S,2S)-N-[(1R)-1-(6-ethoxy-3-pyridinyl)-2-hydroxyethyl]-2-phenylcyclopropane-1-carboxamide;trans-(1S,2S)-N-[(1R)-1-(6-ethoxy-3-pyridinyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
CID 161089526
trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 135320702
N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 78034984
2-phenyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 56725051
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146275052
trans-(1R,2R)-2-(1-methylbenzimidazol-2-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146275053
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide (CID 89367782) is trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide is C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC=O)nc1.
What is the InChIKey of trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is SZMWOXALBYTDKS-XKQJLSEDSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(15-7-8-18(20-12-15)24-10-9-22)21-19(23)17-11-16(17)14-5-3-2-4-6-14/h2-9,12-13,16-17H,10-11H2,1H3,(H,21,23)/t13-,16+,17-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 89367782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).