(Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile

C19H19N3O2 — CID 15434437

IUPAC(Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile
SMILESCOc1cnc(/C(C#N)=C/c2cccnc2)cc1OC1CCCC1
InChIInChI=1S/C19H19N3O2/c1-23-19-13-22-17(10-18(19)24-16-6-2-3-7-16)15(11-20)9-14-5-4-8-21-12-14/h4-5,8-10,12-13,16H,2-3,6-7H2,1H3/b15-9+
InChIKeySIRVRQUWOZIPFC-OQLLNIDSSA-N
MW321.38 g/mol
LogP3.87
Rot. Bonds5

About (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile

(Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile (PubChem CID 15434437) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile
PubChem CID15434437
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile
SMILESCOc1cnc(/C(C#N)=C/c2cccnc2)cc1OC1CCCC1
InChIInChI=1S/C19H19N3O2/c1-23-19-13-22-17(10-18(19)24-16-6-2-3-7-16)15(11-20)9-14-5-4-8-21-12-14/h4-5,8-10,12-13,16H,2-3,6-7H2,1H3/b15-9+
InChIKeySIRVRQUWOZIPFC-OQLLNIDSSA-N
XLogP3.87
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
4-(3-{4-[(S)-Cyclopentyl(Hydroxy)pyridin-2-Ylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CID 71777739
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
Caerulomycin C
CID 135503530
(2S)-2-[(S)-(2-ethoxyphenoxy)-(3-methyl-2-pyridinyl)methyl]morpholine
CID 44578969
4-(3-(4-(Cyclopentyl(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 73297279
US10155760, Example 65
CID 118429839
US10155760, Example 228
CID 118429881
US10689357, Example 42
CID 146236582
2-(4-Methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
CID 134817809
2-{[3-(Pyridin-3-yloxy)cyclohex-1-en-1-yl]ethynyl}pyridine
CID 44403652

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile (CID 15434437) is (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile is COc1cnc(/C(C#N)=C/c2cccnc2)cc1OC1CCCC1.
What is the InChIKey of (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile?
The InChIKey is SIRVRQUWOZIPFC-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-19-13-22-17(10-18(19)24-16-6-2-3-7-16)15(11-20)9-14-5-4-8-21-12-14/h4-5,8-10,12-13,16H,2-3,6-7H2,1H3/b15-9+.
What are the key properties of (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile?
(Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile has a molecular weight of 321.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-cyclopentyloxy-5-methoxy-2-pyridinyl)-3-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 15434437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).