1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide

C21H24N2O4 — CID 140629456

IUPAC1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESNC(=O)C1([C@H](CO)c2ccc(O[C@H]3CCOC3)nc2)CC1c1ccccc1
InChIInChI=1S/C21H24N2O4/c22-20(25)21(10-17(21)14-4-2-1-3-5-14)18(12-24)15-6-7-19(23-11-15)27-16-8-9-26-13-16/h1-7,11,16-18,24H,8-10,12-13H2,(H2,22,25)/t16-,17?,18+,21?/m0/s1
InChIKeyBFXYDYLPODPFHY-LWLAFGSWSA-N
MW368.43 g/mol
LogP1.98
Rot. Bonds7

About 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide

1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 140629456) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID140629456
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESNC(=O)C1([C@H](CO)c2ccc(O[C@H]3CCOC3)nc2)CC1c1ccccc1
InChIInChI=1S/C21H24N2O4/c22-20(25)21(10-17(21)14-4-2-1-3-5-14)18(12-24)15-6-7-19(23-11-15)27-16-8-9-26-13-16/h1-7,11,16-18,24H,8-10,12-13H2,(H2,22,25)/t16-,17?,18+,21?/m0/s1
InChIKeyBFXYDYLPODPFHY-LWLAFGSWSA-N
XLogP1.98
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-amino-2-[6-(oxolan-3-yloxy)-3-pyridinyl]ethanol
CID 71182932
trans-(1S,2S)-N-[2-methoxy-1-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 135320702
N-(3,3-diphenylpropyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730209
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
[6-(oxolan-3-yloxy)-3-pyridinyl]methanamine
CID 63559217
6-(oxolan-3-yloxy)pyridazine-3-carboxylic acid
CID 63557225
2-amino-2-(6-cyclobutyloxy-3-pyridinyl)ethanol
CID 71183010
N-[[6-(oxolan-3-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 63556915
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91815187
N-(furan-2-ylmethyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730113
ethyl 4-[6-[(3R)-oxolan-3-yl]oxypyridine-3-carbonyl]piperazine-1-carboxylate
CID 124892311
5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine
CID 63557481

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide (CID 140629456) is 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide is NC(=O)C1([C@H](CO)c2ccc(O[C@H]3CCOC3)nc2)CC1c1ccccc1.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is BFXYDYLPODPFHY-LWLAFGSWSA-N. The full InChI is InChI=1S/C21H24N2O4/c22-20(25)21(10-17(21)14-4-2-1-3-5-14)18(12-24)15-6-7-19(23-11-15)27-16-8-9-26-13-16/h1-7,11,16-18,24H,8-10,12-13H2,(H2,22,25)/t16-,17?,18+,21?/m0/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide?
1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 140629456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).