[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone

C30H30N4O — CID 58207469

IUPAC[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCc1ncc(CCc2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C30H30N4O/c1-22-26(19-24(20-32-22)16-15-23-9-4-2-5-10-23)30(35)27-13-8-14-29(33-27)34-18-17-31-28(21-34)25-11-6-3-7-12-25/h2-14,19-20,28,31H,15-18,21H2,1H3
InChIKeyWYOQNLQDHOSZTH-UHFFFAOYSA-N
MW462.60 g/mol
LogP4.95
Rot. Bonds7

About [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone

[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone (PubChem CID 58207469) has the molecular formula C30H30N4O and a molecular weight of 462.60 g/mol. Its IUPAC name is [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
PubChem CID58207469
Molecular FormulaC30H30N4O
Molecular Weight462.60 g/mol
Exact Mass462.24
IUPAC Name[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
SMILESCc1ncc(CCc2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C30H30N4O/c1-22-26(19-24(20-32-22)16-15-23-9-4-2-5-10-23)30(35)27-13-8-14-29(33-27)34-18-17-31-28(21-34)25-11-6-3-7-12-25/h2-14,19-20,28,31H,15-18,21H2,1H3
InChIKeyWYOQNLQDHOSZTH-UHFFFAOYSA-N
XLogP4.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 159888989
[5-(2-hydroxyphenyl)-2-methyl-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 162085069
(2-methyl-5-thiophen-2-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 161332015
[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-amino-5-pyridin-3-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24992175
(2-amino-5-pyridin-4-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 157450285
[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 161243728
ethyl 4-[6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 95105244
(2-amino-3-pyridinyl)-[6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone;molecular hydrogen
CID 160845215
N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 53180843
(2-amino-3-pyridinyl)-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24996302

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone (CID 58207469) is [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone is Cc1ncc(CCc2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
The InChIKey is WYOQNLQDHOSZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O/c1-22-26(19-24(20-32-22)16-15-23-9-4-2-5-10-23)30(35)27-13-8-14-29(33-27)34-18-17-31-28(21-34)25-11-6-3-7-12-25/h2-14,19-20,28,31H,15-18,21H2,1H3.
What are the key properties of [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone?
[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone has a molecular weight of 462.60 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 58207469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).