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

C19H27N7O — CID 109207935

IUPAC[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)CCCNc1ccnc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H27N7O/c1-24(2)10-4-8-20-16-5-9-21-17(15-16)18(27)25-11-13-26(14-12-25)19-22-6-3-7-23-19/h3,5-7,9,15H,4,8,10-14H2,1-2H3,(H,20,21)
InChIKeyIPRALUPPZGEKPX-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.20
Rot. Bonds7

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

[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109207935) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109207935
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCN(C)CCCNc1ccnc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H27N7O/c1-24(2)10-4-8-20-16-5-9-21-17(15-16)18(27)25-11-13-26(14-12-25)19-22-6-3-7-23-19/h3,5-7,9,15H,4,8,10-14H2,1-2H3,(H,20,21)
InChIKeyIPRALUPPZGEKPX-UHFFFAOYSA-N
XLogP1.20
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-methylbutylamino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216294
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109154259
[4-(4-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216304
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
[2-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109301731
[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
CID 109216019
[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109205899
[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109202741
[2-[3-(dimethylamino)propylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109168348
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109207935) is [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CN(C)CCCNc1ccnc(C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IPRALUPPZGEKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O/c1-24(2)10-4-8-20-16-5-9-21-17(15-16)18(27)25-11-13-26(14-12-25)19-22-6-3-7-23-19/h3,5-7,9,15H,4,8,10-14H2,1-2H3,(H,20,21).
What are the key properties of [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109207935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).