trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide

C20H24N2O3 — CID 71201939

IUPACtrans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)Oc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C20H24N2O3/c1-13(2)25-19-9-8-15(11-21-19)18(12-23)22-20(24)17-10-16(17)14-6-4-3-5-7-14/h3-9,11,13,16-18,23H,10,12H2,1-2H3,(H,22,24)/t16-,17+,18+/m1/s1
InChIKeyWETYIEWNKAHLTJ-SQNIBIBYSA-N
MW340.42 g/mol
LogP2.82
Rot. Bonds7

About trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 71201939) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID71201939
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nametrans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)Oc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C20H24N2O3/c1-13(2)25-19-9-8-15(11-21-19)18(12-23)22-20(24)17-10-16(17)14-6-4-3-5-7-14/h3-9,11,13,16-18,23H,10,12H2,1-2H3,(H,22,24)/t16-,17+,18+/m1/s1
InChIKeyWETYIEWNKAHLTJ-SQNIBIBYSA-N
XLogP2.82
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide (CID 71201939) is trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide is CC(C)Oc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1.
What is the InChIKey of trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is WETYIEWNKAHLTJ-SQNIBIBYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)25-19-9-8-15(11-21-19)18(12-23)22-20(24)17-10-16(17)14-6-4-3-5-7-14/h3-9,11,13,16-18,23H,10,12H2,1-2H3,(H,22,24)/t16-,17+,18+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1R)-2-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 71201939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).