[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C24H26N4O — CID 109188270

IUPAC[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccccc1CNc1ccc(C(=O)N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C24H26N4O/c1-19-7-5-6-8-20(19)17-25-21-11-12-23(26-18-21)24(29)28-15-13-27(14-16-28)22-9-3-2-4-10-22/h2-12,18,25H,13-17H2,1H3
InChIKeyFMEBOPJZMZYRLD-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.96
Rot. Bonds5

About [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109188270) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109188270
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccccc1CNc1ccc(C(=O)N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C24H26N4O/c1-19-7-5-6-8-20(19)17-25-21-11-12-23(26-18-21)24(29)28-15-13-27(14-16-28)22-9-3-2-4-10-22/h2-12,18,25H,13-17H2,1H3
InChIKeyFMEBOPJZMZYRLD-UHFFFAOYSA-N
XLogP3.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186259
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109188298
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753
2-(2-methylphenyl)-N-[4-(4-phenylpiperazin-1-yl)phenyl]acetamide
CID 112983952
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
N-(3-chloro-4-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188320

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109188270) is [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccccc1CNc1ccc(C(=O)N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FMEBOPJZMZYRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-19-7-5-6-8-20(19)17-25-21-11-12-23(26-18-21)24(29)28-15-13-27(14-16-28)22-9-3-2-4-10-22/h2-12,18,25H,13-17H2,1H3.
What are the key properties of [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109188270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).