[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C21H28N4O2 — CID 109167191

IUPAC[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCOCCCNc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C21H28N4O2/c1-17-5-3-6-19(15-17)24-10-12-25(13-11-24)21(26)18-7-9-23-20(16-18)22-8-4-14-27-2/h3,5-7,9,15-16H,4,8,10-14H2,1-2H3,(H,22,23)
InChIKeyXYUWSJBRDNQFPC-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.80
Rot. Bonds7

About [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 109167191) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID109167191
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCOCCCNc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccn1
InChIInChI=1S/C21H28N4O2/c1-17-5-3-6-19(15-17)24-10-12-25(13-11-24)21(26)18-7-9-23-20(16-18)22-8-4-14-27-2/h3,5-7,9,15-16H,4,8,10-14H2,1-2H3,(H,22,23)
InChIKeyXYUWSJBRDNQFPC-UHFFFAOYSA-N
XLogP2.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-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-methylphenyl)piperazin-1-yl]-[2-(pentylamino)-4-pyridinyl]methanone
CID 109174364
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109082685
[2-(3-methoxypropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109300021
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
CID 109045294
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112911741
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114135
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 109167191) is [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is COCCCNc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccn1.
What is the InChIKey of [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is XYUWSJBRDNQFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-17-5-3-6-19(15-17)24-10-12-25(13-11-24)21(26)18-7-9-23-20(16-18)22-8-4-14-27-2/h3,5-7,9,15-16H,4,8,10-14H2,1-2H3,(H,22,23).
What are the key properties of [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109167191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).