(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone

C25H26N4O — CID 58207545

IUPAC(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone
SMILESC/C=C/c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1C
InChIInChI=1S/C25H26N4O/c1-3-8-20-12-13-23(28-24(20)25(30)21-11-7-14-26-18(21)2)29-16-15-27-22(17-29)19-9-5-4-6-10-19/h3-14,22,27H,15-17H2,1-2H3/b8-3+
InChIKeyZTSXLYRFDAGEPJ-FPYGCLRLSA-N
MW398.51 g/mol
LogP4.20
Rot. Bonds5

About (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone

(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone (PubChem CID 58207545) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone
PubChem CID58207545
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone
SMILESC/C=C/c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1C
InChIInChI=1S/C25H26N4O/c1-3-8-20-12-13-23(28-24(20)25(30)21-11-7-14-26-18(21)2)29-16-15-27-22(17-29)19-9-5-4-6-10-19/h3-14,22,27H,15-17H2,1-2H3/b8-3+
InChIKeyZTSXLYRFDAGEPJ-FPYGCLRLSA-N
XLogP4.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-methyl-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-prop-1-ynyl-2-pyridinyl]methanone
CID 160675066
[3-ethynyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160823075
[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 160533261
[6-[3-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 160802202
[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 58207469
(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 44815918
[6-(3-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 159617044
[3-(1-fluoroethenyl)-6-[(3S)-3-(2-fluoro-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 159031945
[6-[3-(1-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;molecular hydrogen
CID 159182501
[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 159888989
N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104870
[5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 162085069

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone?
The IUPAC name of (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone (CID 58207545) is (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone?
The canonical SMILES for (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone is C/C=C/c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1C.
What is the InChIKey of (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone?
The InChIKey is ZTSXLYRFDAGEPJ-FPYGCLRLSA-N. The full InChI is InChI=1S/C25H26N4O/c1-3-8-20-12-13-23(28-24(20)25(30)21-11-7-14-26-18(21)2)29-16-15-27-22(17-29)19-9-5-4-6-10-19/h3-14,22,27H,15-17H2,1-2H3/b8-3+.
What are the key properties of (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone?
(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone has a molecular weight of 398.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone is sourced from PubChem (CID 58207545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).