[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H23N5O2 — CID 109205899

IUPAC[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOCCNc1ccnc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-25-13-8-19-15-5-7-20-16(14-15)18(24)23-11-9-22(10-12-23)17-4-2-3-6-21-17/h2-7,14H,8-13H2,1H3,(H,19,20)
InChIKeyYORHHDVTWWECFY-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.50
Rot. Bonds6

About [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109205899) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109205899
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOCCNc1ccnc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H23N5O2/c1-25-13-8-19-15-5-7-20-16(14-15)18(24)23-11-9-22(10-12-23)17-4-2-3-6-21-17/h2-7,14H,8-13H2,1H3,(H,19,20)
InChIKeyYORHHDVTWWECFY-UHFFFAOYSA-N
XLogP1.50
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842
[4-(propan-2-ylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109201553
3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-methoxyethylamino)-2-pyridinyl]methanone
CID 109205870
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276259
N-butan-2-yl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109079999
[4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216233
[4-(3-methylbutylamino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216294
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208752
3-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216243
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109207935

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109205899) is [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COCCNc1ccnc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YORHHDVTWWECFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-13-8-19-15-5-7-20-16(14-15)18(24)23-11-9-22(10-12-23)17-4-2-3-6-21-17/h2-7,14H,8-13H2,1H3,(H,19,20).
What are the key properties of [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109205899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).