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

C23H24N4O — CID 109188000

IUPAC[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(NCc2ccccc2)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24N4O/c28-23(27-15-13-26(14-16-27)21-9-5-2-6-10-21)22-12-11-20(18-25-22)24-17-19-7-3-1-4-8-19/h1-12,18,24H,13-17H2
InChIKeyPQEVUFVUJNDEMH-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.66
Rot. Bonds5

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

[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109188000) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is [5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109188000
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(NCc2ccccc2)cn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24N4O/c28-23(27-15-13-26(14-16-27)21-9-5-2-6-10-21)22-12-11-20(18-25-22)24-17-19-7-3-1-4-8-19/h1-12,18,24H,13-17H2
InChIKeyPQEVUFVUJNDEMH-UHFFFAOYSA-N
XLogP3.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188270
[5-(benzylamino)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109188006
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109191619
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191334
[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585

Frequently Asked Questions

What is the IUPAC name of [5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109188000) is [5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc(NCc2ccccc2)cn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is PQEVUFVUJNDEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(27-15-13-26(14-16-27)21-9-5-2-6-10-21)22-12-11-20(18-25-22)24-17-19-7-3-1-4-8-19/h1-12,18,24H,13-17H2.
What are the key properties of [5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 372.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109188000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).