(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone

C23H22F2N2O2 — CID 57329546

IUPAC(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O2/c1-3-11-26-23-19(22(28)16-7-10-20(24)21(25)13-16)12-17(14-27-23)15-5-8-18(9-6-15)29-4-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,27)
InChIKeyFIXAVOCDUCHVHD-UHFFFAOYSA-N
MW396.44 g/mol
LogP5.48
Rot. Bonds8

About (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone

(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone (PubChem CID 57329546) has the molecular formula C23H22F2N2O2 and a molecular weight of 396.44 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
PubChem CID57329546
Molecular FormulaC23H22F2N2O2
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O2/c1-3-11-26-23-19(22(28)16-7-10-20(24)21(25)13-16)12-17(14-27-23)15-5-8-18(9-6-15)29-4-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,27)
InChIKeyFIXAVOCDUCHVHD-UHFFFAOYSA-N
XLogP5.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone (CID 57329546) is (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone is CCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The InChIKey is FIXAVOCDUCHVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O2/c1-3-11-26-23-19(22(28)16-7-10-20(24)21(25)13-16)12-17(14-27-23)15-5-8-18(9-6-15)29-4-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,27).
What are the key properties of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone has a molecular weight of 396.44 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 57329546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).