[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C23H25N5O — CID 109238611

IUPAC[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCc1ccccc1Nc1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-2-18-7-3-4-8-21(18)26-20-15-19(16-24-17-20)23(29)28-13-11-27(12-14-28)22-9-5-6-10-25-22/h3-10,15-17,26H,2,11-14H2,1H3
InChIKeySXOOQKWPVMLHSU-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.74
Rot. Bonds5

About [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109238611) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109238611
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCc1ccccc1Nc1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C23H25N5O/c1-2-18-7-3-4-8-21(18)26-20-15-19(16-24-17-20)23(29)28-13-11-27(12-14-28)22-9-5-6-10-25-22/h3-10,15-17,26H,2,11-14H2,1H3
InChIKeySXOOQKWPVMLHSU-UHFFFAOYSA-N
XLogP3.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

ethyl 4-[5-(2-ethylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238304
[5-(2,4-difluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238623
[5-(4-fluoroanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238615
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602
[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230172
ethyl 2-[[5-(4-acetylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109231144
1-[4-[5-(2-propan-2-ylanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231087
methyl 2-[[5-(4-acetylpiperazine-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109231125
[5-(2-methoxyanilino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237540

Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109238611) is [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCc1ccccc1Nc1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is SXOOQKWPVMLHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-2-18-7-3-4-8-21(18)26-20-15-19(16-24-17-20)23(29)28-13-11-27(12-14-28)22-9-5-6-10-25-22/h3-10,15-17,26H,2,11-14H2,1H3.
What are the key properties of [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 387.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109238611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).