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

C23H22F2N2O2 — CID 72712452

IUPAC(3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H22F2N2O2/c1-3-9-26-23-21(22(28)16-10-18(24)13-19(25)11-16)12-17(14-27-23)15-5-7-20(8-6-15)29-4-2/h5-8,10-14H,3-4,9H2,1-2H3,(H,26,27)
InChIKeyXMTKSWVHUZIDLS-UHFFFAOYSA-N
MW396.44 g/mol
LogP5.48
Rot. Bonds8

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

(3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone (PubChem CID 72712452) has the molecular formula C23H22F2N2O2 and a molecular weight of 396.44 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
PubChem CID72712452
Molecular FormulaC23H22F2N2O2
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name(3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H22F2N2O2/c1-3-9-26-23-21(22(28)16-10-18(24)13-19(25)11-16)12-17(14-27-23)15-5-7-20(8-6-15)29-4-2/h5-8,10-14H,3-4,9H2,1-2H3,(H,26,27)
InChIKeyXMTKSWVHUZIDLS-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

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Related Compounds

(4-fluorophenyl)-[5-(4-phenoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
CID 72712025
(3,4-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(ethylamino)-3-pyridinyl]methanone
CID 72712456
2-(4-ethoxyphenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169174
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
methyl 6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxylate
CID 167450972
[2-(decylamino)-3-pyridinyl]-(3-ethoxyphenyl)methanone
CID 139998041
(3-ethoxyphenyl)-[2-(octylamino)-3-pyridinyl]methanone
CID 139998068
2-[4-(3,5-difluorophenyl)phenoxy]-N-methylacetamide
CID 72885050
2-(3,5-difluorophenoxy)-1-(4-ethoxyphenyl)ethanone
CID 62785423
(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
CID 63409331
2-(4-ethoxyphenyl)-4-fluoropyridine
CID 102824424
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone (CID 72712452) is (3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone is CCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The InChIKey is XMTKSWVHUZIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O2/c1-3-9-26-23-21(22(28)16-10-18(24)13-19(25)11-16)12-17(14-27-23)15-5-7-20(8-6-15)29-4-2/h5-8,10-14H,3-4,9H2,1-2H3,(H,26,27).
What are the key properties of (3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
(3,5-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 (3,5-difluorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 72712452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).