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

C24H26N4O — CID 109213641

IUPAC[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(NCCc2ccccc2)ccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26N4O/c29-24(28-17-15-27(16-18-28)22-9-5-2-6-10-22)23-19-21(12-14-26-23)25-13-11-20-7-3-1-4-8-20/h1-10,12,14,19H,11,13,15-18H2,(H,25,26)
InChIKeyUSXNPTZYVORASZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.70
Rot. Bonds6

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

[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109213641) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109213641
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(NCCc2ccccc2)ccn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26N4O/c29-24(28-17-15-27(16-18-28)22-9-5-2-6-10-22)23-19-21(12-14-26-23)25-13-11-20-7-3-1-4-8-20/h1-10,12,14,19H,11,13,15-18H2,(H,25,26)
InChIKeyUSXNPTZYVORASZ-UHFFFAOYSA-N
XLogP3.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
phenyl-[4-[4-(2-phenylethylamino)phenyl]piperazin-1-yl]methanone
CID 167174450
2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109213671
(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109208424
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[4-(3-phenylpropylamino)-2-pyridinyl]methanone
CID 109215587
[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
CID 109216019
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205101
[4-(3-methylphenyl)piperazin-1-yl]-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203100
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109213641) is [4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(NCCc2ccccc2)ccn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is USXNPTZYVORASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(28-17-15-27(16-18-28)22-9-5-2-6-10-22)23-19-21(12-14-26-23)25-13-11-20-7-3-1-4-8-20/h1-10,12,14,19H,11,13,15-18H2,(H,25,26).
What are the key properties of [4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 386.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109213641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).