trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide

C22H26N2O4 — CID 135320702

IUPACtrans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOCC(NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(O[C@@H]2CCOC2)nc1
InChIInChI=1S/C22H26N2O4/c1-26-14-20(16-7-8-21(23-12-16)28-17-9-10-27-13-17)24-22(25)19-11-18(19)15-5-3-2-4-6-15/h2-8,12,17-20H,9-11,13-14H2,1H3,(H,24,25)/t17-,18-,19+,20?/m1/s1
InChIKeyYXASQONVGANVOJ-WRURNZQNSA-N
MW382.46 g/mol
LogP2.86
Rot. Bonds8

About trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 135320702) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID135320702
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nametrans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOCC(NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(O[C@@H]2CCOC2)nc1
InChIInChI=1S/C22H26N2O4/c1-26-14-20(16-7-8-21(23-12-16)28-17-9-10-27-13-17)24-22(25)19-11-18(19)15-5-3-2-4-6-15/h2-8,12,17-20H,9-11,13-14H2,1H3,(H,24,25)/t17-,18-,19+,20?/m1/s1
InChIKeyYXASQONVGANVOJ-WRURNZQNSA-N
XLogP2.86
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 123567569
trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 89367782
1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 140629456
2-amino-2-[6-(oxolan-3-yloxy)-3-pyridinyl]ethanol
CID 71182932
N-(3,3-diphenylpropyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730209
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
N-[[6-(oxolan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 63556915
N-(furan-2-ylmethyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730113
N-[1-(6-cyano-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 78034986
methyl (2R)-2-[[(1S,2S)-2-phenylcyclopropanecarbonyl]amino]-2-pyridin-3-ylacetate
CID 97260167
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide (CID 135320702) is trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide is COCC(NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(O[C@@H]2CCOC2)nc1.
What is the InChIKey of trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is YXASQONVGANVOJ-WRURNZQNSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-14-20(16-7-8-21(23-12-16)28-17-9-10-27-13-17)24-22(25)19-11-18(19)15-5-3-2-4-6-15/h2-8,12,17-20H,9-11,13-14H2,1H3,(H,24,25)/t17-,18-,19+,20?/m1/s1.
What are the key properties of trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 135320702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).