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

C24H28FN5O2 — CID 67199036

IUPAC2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCOCCCNc1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C24H28FN5O2/c1-32-14-4-12-28-21-9-8-20(22(23(26)31)18-6-3-11-27-16-18)24(30-21)29-13-10-17-5-2-7-19(25)15-17/h2-3,5-9,11,15-16,22H,4,10,12-14H2,1H3,(H2,26,31)(H2,28,29,30)
InChIKeyORPNWMUHGXYEPC-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.34
Rot. Bonds12

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

2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67199036) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67199036
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCOCCCNc1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C24H28FN5O2/c1-32-14-4-12-28-21-9-8-20(22(23(26)31)18-6-3-11-27-16-18)24(30-21)29-13-10-17-5-2-7-19(25)15-17/h2-3,5-9,11,15-16,22H,4,10,12-14H2,1H3,(H2,26,31)(H2,28,29,30)
InChIKeyORPNWMUHGXYEPC-UHFFFAOYSA-N
XLogP3.34
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67199786
2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59738225
2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101487
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-[2-(hydroxymethyl)thiophen-3-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101798
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-[5-(hydroxymethyl)thiophen-3-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67100985
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67199036) is 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide is COCCCNc1ccc(C(C(N)=O)c2cccnc2)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is ORPNWMUHGXYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-32-14-4-12-28-21-9-8-20(22(23(26)31)18-6-3-11-27-16-18)24(30-21)29-13-10-17-5-2-7-19(25)15-17/h2-3,5-9,11,15-16,22H,4,10,12-14H2,1H3,(H2,26,31)(H2,28,29,30).
What are the key properties of 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 437.52 g/mol, XLogP of 3.34, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67199036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).