4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate

C17H18N2O2 — CID 11087244

IUPAC4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H18N2O2/c1-2-17(20)21-12-6-4-7-14-9-10-16(19-13-14)15-8-3-5-11-18-15/h2-3,5,8-11,13H,1,4,6-7,12H2
InChIKeyCGCIYNBLGHHGLO-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.20
Rot. Bonds7

About 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate

4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate (PubChem CID 11087244) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate
PubChem CID11087244
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCc1ccc(-c2ccccn2)nc1
InChIInChI=1S/C17H18N2O2/c1-2-17(20)21-12-6-4-7-14-9-10-16(19-13-14)15-8-3-5-11-18-15/h2-3,5,8-11,13H,1,4,6-7,12H2
InChIKeyCGCIYNBLGHHGLO-UHFFFAOYSA-N
XLogP3.20
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenylphenyl)butyl prop-2-enoate
CID 171768287
5-pyridin-4-ylpentyl prop-2-enoate
CID 122214790
2-pyridin-2-yl-5-[2-(6-pyridin-2-yl-3-pyridinyl)ethyl]pyridine
CID 102191368
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
4-[4-(4-pyridin-4-ylphenyl)phenyl]butyl prop-2-enoate
CID 142376976
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
6-[3-(6-hydroxyhexyl)phenyl]hexyl prop-2-enoate
CID 89073143
3-(4-ethenylphenyl)propyl prop-2-enoate
CID 163299713
7-(2-phenylpyrimidin-5-yl)oxyheptyl prop-2-enoate
CID 140977152
3-(6-prop-2-enoyloxyhexoxy)pyridine-2-carboxylic acid
CID 44820468
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004

Frequently Asked Questions

What is the IUPAC name of 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate?
The IUPAC name of 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate (CID 11087244) is 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate.
What is the SMILES notation for 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate?
The canonical SMILES for 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate is C=CC(=O)OCCCCc1ccc(-c2ccccn2)nc1.
What is the InChIKey of 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate?
The InChIKey is CGCIYNBLGHHGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-17(20)21-12-6-4-7-14-9-10-16(19-13-14)15-8-3-5-11-18-15/h2-3,5,8-11,13H,1,4,6-7,12H2.
What are the key properties of 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate?
4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-pyridin-2-yl-3-pyridinyl)butyl prop-2-enoate is sourced from PubChem (CID 11087244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).