6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C24H27FN4O2 — CID 59738266

IUPAC6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCOC(C)c1ccc(C(=O)NCc2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C24H27FN4O2/c1-3-31-17(2)22-10-9-21(24(30)28-16-19-7-5-12-26-15-19)23(29-22)27-13-11-18-6-4-8-20(25)14-18/h4-10,12,14-15,17H,3,11,13,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUCJICDGWLQQVPB-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.30
Rot. Bonds10

About 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 59738266) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID59738266
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCOC(C)c1ccc(C(=O)NCc2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C24H27FN4O2/c1-3-31-17(2)22-10-9-21(24(30)28-16-19-7-5-12-26-15-19)23(29-22)27-13-11-18-6-4-8-20(25)14-18/h4-10,12,14-15,17H,3,11,13,16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyUCJICDGWLQQVPB-UHFFFAOYSA-N
XLogP4.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 59738266) is 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CCOC(C)c1ccc(C(=O)NCc2cccnc2)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is UCJICDGWLQQVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-3-31-17(2)22-10-9-21(24(30)28-16-19-7-5-12-26-15-19)23(29-22)27-13-11-18-6-4-8-20(25)14-18/h4-10,12,14-15,17H,3,11,13,16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59738266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).