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

C76H85N9O12 — CID 159251558

IUPAC2-[[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
SMILESC[C@H](N)c1ccc(OCCO)nc1.C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC#N)nc1.C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC=O)nc1.C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCCO)nc1.O=C(O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H19N3O2.C19H22N2O3.C19H20N2O3.C10H10O2.C9H14N2O2/c1-13(15-7-8-18(21-12-15)24-10-9-20)22-19(23)17-11-16(17)14-5-3-2-4-6-14;2*1-13(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;11-10(12)9-6-8(9)7-4-2-1-3-5-7;1-7(10)8-2-3-9(11-6-8)13-5-4-12/h2-8,12-13,16-17H,10-11H2,1H3,(H,22,23);2-8,12-13,16-17,22H,9-11H2,1H3,(H,21,23);2-9,12-13,16-17H,10-11H2,1H3,(H,21,23);1-5,8-9H,6H2,(H,11,12);2-3,6-7,12H,4-5,10H2,1H3/t3*13-,16+,17-;8-,9+;7-/m00010/s1
InChIKeyKVJAJHCFGXVCBL-DOSRXVBFSA-N
MW1316.57 g/mol
LogP10.39
Rot. Bonds26

About 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

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 (PubChem CID 159251558) has the molecular formula C76H85N9O12 and a molecular weight of 1316.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID159251558
Molecular FormulaC76H85N9O12
Molecular Weight1316.57 g/mol
Exact Mass1315.63
IUPAC Name2-[[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
SMILESC[C@H](N)c1ccc(OCCO)nc1.C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC#N)nc1.C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC=O)nc1.C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCCO)nc1.O=C(O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C19H19N3O2.C19H22N2O3.C19H20N2O3.C10H10O2.C9H14N2O2/c1-13(15-7-8-18(21-12-15)24-10-9-20)22-19(23)17-11-16(17)14-5-3-2-4-6-14;2*1-13(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;11-10(12)9-6-8(9)7-4-2-1-3-5-7;1-7(10)8-2-3-9(11-6-8)13-5-4-12/h2-8,12-13,16-17H,10-11H2,1H3,(H,22,23);2-8,12-13,16-17,22H,9-11H2,1H3,(H,21,23);2-9,12-13,16-17H,10-11H2,1H3,(H,21,23);1-5,8-9H,6H2,(H,11,12);2-3,6-7,12H,4-5,10H2,1H3/t3*13-,16+,17-;8-,9+;7-/m00010/s1
InChIKeyKVJAJHCFGXVCBL-DOSRXVBFSA-N
XLogP10.39
TPSA320.42 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001316.57
LogP ≤ 510.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

trans-(1S,2S)-N-[(1S)-1-[6-(2-oxoethoxy)-3-pyridinyl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 89367782
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
trans-(1R,2R)-2-(1-methylindol-6-yl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146275052
(1S)-1-[6-(2-cyclobutylethoxy)-3-pyridinyl]ethanamine
CID 106202300
N-[2-methoxy-1-(4-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 123567569
trans-(1S,2S)-2-phenyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 146460797
(2S)-2-phenyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]cyclopropane-1-carboxamide
CID 163938857
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H](N)c1ccc(OCCO)nc1.C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC#N)nc1.C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCC=O)nc1.C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(OCCO)nc1.O=C(O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is KVJAJHCFGXVCBL-DOSRXVBFSA-N. The full InChI is InChI=1S/C19H19N3O2.C19H22N2O3.C19H20N2O3.C10H10O2.C9H14N2O2/c1-13(15-7-8-18(21-12-15)24-10-9-20)22-19(23)17-11-16(17)14-5-3-2-4-6-14;2*1-13(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;11-10(12)9-6-8(9)7-4-2-1-3-5-7;1-7(10)8-2-3-9(11-6-8)13-5-4-12/h2-8,12-13,16-17H,10-11H2,1H3,(H,22,23);2-8,12-13,16-17,22H,9-11H2,1H3,(H,21,23);2-9,12-13,16-17H,10-11H2,1H3,(H,21,23);1-5,8-9H,6H2,(H,11,12);2-3,6-7,12H,4-5,10H2,1H3/t3*13-,16+,17-;8-,9+;7-/m00010/s1.
What are the key properties of 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?
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 has a molecular weight of 1316.57 g/mol, XLogP of 10.39, 26 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159251558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).