[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H28N6O — CID 109168348

IUPAC[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)CCCNc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C20H28N6O/c1-24(2)11-5-9-21-18-16-17(7-10-22-18)20(27)26-14-12-25(13-15-26)19-6-3-4-8-23-19/h3-4,6-8,10,16H,5,9,11-15H2,1-2H3,(H,21,22)
InChIKeyIJWPQMOZBLNWDM-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.80
Rot. Bonds7

About [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109168348) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109168348
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)CCCNc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C20H28N6O/c1-24(2)11-5-9-21-18-16-17(7-10-22-18)20(27)26-14-12-25(13-15-26)19-6-3-4-8-23-19/h3-4,6-8,10,16H,5,9,11-15H2,1-2H3,(H,21,22)
InChIKeyIJWPQMOZBLNWDM-UHFFFAOYSA-N
XLogP1.80
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.80
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

[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595
[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109301731
[2-[2-(dimethylamino)ethylamino]pyrimidin-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109252908
2-[3-(dimethylamino)propylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108995090
[2-[(4-fluorophenyl)methylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109170652
[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109154259
[2-(2-methylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174558
[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
ethyl 4-[2-[2-(dimethylamino)ethylamino]pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109167814
N-[2-(dimethylamino)ethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096318

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109168348) is [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CN(C)CCCNc1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1.
What is the InChIKey of [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IJWPQMOZBLNWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-24(2)11-5-9-21-18-16-17(7-10-22-18)20(27)26-14-12-25(13-15-26)19-6-3-4-8-23-19/h3-4,6-8,10,16H,5,9,11-15H2,1-2H3,(H,21,22).
What are the key properties of [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 368.49 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109168348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).