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

C22H20F2N2O2 — CID 72712456

IUPAC(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone
SMILESCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20F2N2O2/c1-3-25-22-18(21(27)15-7-10-19(23)20(24)12-15)11-16(13-26-22)14-5-8-17(9-6-14)28-4-2/h5-13H,3-4H2,1-2H3,(H,25,26)
InChIKeyOXISRGPKDQXTKJ-UHFFFAOYSA-N
MW382.41 g/mol
LogP5.09
Rot. Bonds7

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

(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone (PubChem CID 72712456) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone
PubChem CID72712456
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone
SMILESCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20F2N2O2/c1-3-25-22-18(21(27)15-7-10-19(23)20(24)12-15)11-16(13-26-22)14-5-8-17(9-6-14)28-4-2/h5-13H,3-4H2,1-2H3,(H,25,26)
InChIKeyOXISRGPKDQXTKJ-UHFFFAOYSA-N
XLogP5.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-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

Related Compounds

(3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
CID 72712452
(4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
CID 72712025
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
6-(3,4-difluoroanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164202
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
N'-(4-ethoxybenzoyl)-2,5-difluorobenzohydrazide
CID 30485626
ethyl 2-(difluoromethyl)-5-[3-(difluoromethyl)-4-fluorophenyl]pyridine-3-carboxylate
CID 155385717
5-(5-ethoxy-2-fluorophenyl)-2-methylpyrimidine
CID 144998407
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
4-(4-ethoxyphenyl)benzamide
CID 163572533
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 45001628
5-chloro-N'-(4-ethoxybenzoyl)-2-fluorobenzohydrazide
CID 9086466

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone (CID 72712456) is (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone is CCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone?
The InChIKey is OXISRGPKDQXTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c1-3-25-22-18(21(27)15-7-10-19(23)20(24)12-15)11-16(13-26-22)14-5-8-17(9-6-14)28-4-2/h5-13H,3-4H2,1-2H3,(H,25,26).
What are the key properties of (3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone?
(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone has a molecular weight of 382.41 g/mol, XLogP of 5.09, 7 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-(ethylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 72712456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).