cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide

C13H18N2O2 — CID 38537729

IUPACcis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C13H18N2O2/c1-3-17-13-10(5-4-6-14-13)8-15-12(16)11-7-9(11)2/h4-6,9,11H,3,7-8H2,1-2H3,(H,15,16)/t9-,11+/m0/s1
InChIKeyGDKIXXCMHJOVGE-GXSJLCMTSA-N
MW234.30 g/mol
LogP1.75
Rot. Bonds5

About cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 38537729) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID38537729
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namecis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESCCOc1ncccc1CNC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C13H18N2O2/c1-3-17-13-10(5-4-6-14-13)8-15-12(16)11-7-9(11)2/h4-6,9,11H,3,7-8H2,1-2H3,(H,15,16)/t9-,11+/m0/s1
InChIKeyGDKIXXCMHJOVGE-GXSJLCMTSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651098
N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134004650
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
2-(2,3-dihydroindole-1-carbonyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 55577425
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 146075809
cis-(1S,2R)-2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 31953910
1-cyclopentyl-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72936301
N-[(2-ethoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640228
N-[(2-ethoxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72894266
(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51935063
N-[(2-ethoxy-3-pyridinyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520352

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide (CID 38537729) is cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide is CCOc1ncccc1CNC(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is GDKIXXCMHJOVGE-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-17-13-10(5-4-6-14-13)8-15-12(16)11-7-9(11)2/h4-6,9,11H,3,7-8H2,1-2H3,(H,15,16)/t9-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 38537729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).