[5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone

C24H25FN2O2 — CID 72712020

IUPAC[5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone
SMILESCCCN(C)c1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H25FN2O2/c1-4-14-27(3)24-22(23(28)18-6-10-20(25)11-7-18)15-19(16-26-24)17-8-12-21(13-9-17)29-5-2/h6-13,15-16H,4-5,14H2,1-3H3
InChIKeyXKTKFBGVLCLANM-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.36
Rot. Bonds8

About [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone

[5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone (PubChem CID 72712020) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone
PubChem CID72712020
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name[5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone
SMILESCCCN(C)c1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H25FN2O2/c1-4-14-27(3)24-22(23(28)18-6-10-20(25)11-7-18)15-19(16-26-24)17-8-12-21(13-9-17)29-5-2/h6-13,15-16H,4-5,14H2,1-3H3
InChIKeyXKTKFBGVLCLANM-UHFFFAOYSA-N
XLogP5.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone (CID 72712020) is [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone is CCCN(C)c1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccc(F)cc1.
What is the InChIKey of [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone?
The InChIKey is XKTKFBGVLCLANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-4-14-27(3)24-22(23(28)18-6-10-20(25)11-7-18)15-19(16-26-24)17-8-12-21(13-9-17)29-5-2/h6-13,15-16H,4-5,14H2,1-3H3.
What are the key properties of [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone?
[5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone has a molecular weight of 392.47 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 72712020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).