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

C23H23ClN2O2 — CID 72712236

IUPAC(2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C23H23ClN2O2/c1-3-13-25-23-20(22(27)19-7-5-6-8-21(19)24)14-17(15-26-23)16-9-11-18(12-10-16)28-4-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26)
InChIKeyYAUGSYGNNCXDKN-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.85
Rot. Bonds8

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

(2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone (PubChem CID 72712236) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
PubChem CID72712236
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name(2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C23H23ClN2O2/c1-3-13-25-23-20(22(27)19-7-5-6-8-21(19)24)14-17(15-26-23)16-9-11-18(12-10-16)28-4-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26)
InChIKeyYAUGSYGNNCXDKN-UHFFFAOYSA-N
XLogP5.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone (CID 72712236) is (2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone is CCCNc1ncc(-c2ccc(OCC)cc2)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
The InChIKey is YAUGSYGNNCXDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-3-13-25-23-20(22(27)19-7-5-6-8-21(19)24)14-17(15-26-23)16-9-11-18(12-10-16)28-4-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26).
What are the key properties of (2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone?
(2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone has a molecular weight of 394.90 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-(4-ethoxyphenyl)-2-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 72712236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).