2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C24H25FN4O2 — CID 67199786

IUPAC2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESC=C(OCC)c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C24H25FN4O2/c1-3-31-16(2)21-10-9-20(22(23(26)30)18-7-5-12-27-15-18)24(29-21)28-13-11-17-6-4-8-19(25)14-17/h4-10,12,14-15,22H,2-3,11,13H2,1H3,(H2,26,30)(H,28,29)
InChIKeyUTVWOBRCWXYCHZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.89
Rot. Bonds10

About 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67199786) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67199786
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESC=C(OCC)c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C24H25FN4O2/c1-3-31-16(2)21-10-9-20(22(23(26)30)18-7-5-12-27-15-18)24(29-21)28-13-11-17-6-4-8-19(25)14-17/h4-10,12,14-15,22H,2-3,11,13H2,1H3,(H2,26,30)(H,28,29)
InChIKeyUTVWOBRCWXYCHZ-UHFFFAOYSA-N
XLogP3.89
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[6-acetyl-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67200345
2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101487
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67199036
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[2-hydroxypropyl(methyl)amino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67197967
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(hydroxymethyl)thiophen-3-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67100985
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67187375
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[2-(hydroxymethyl)thiophen-3-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101798
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67100713
2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101286
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67188823
2-[6-[(3S)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67188927
2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101980

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67199786) is 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is C=C(OCC)c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is UTVWOBRCWXYCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-3-31-16(2)21-10-9-20(22(23(26)30)18-7-5-12-27-15-18)24(29-21)28-13-11-17-6-4-8-19(25)14-17/h4-10,12,14-15,22H,2-3,11,13H2,1H3,(H2,26,30)(H,28,29).
What are the key properties of 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 420.49 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67199786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).