[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

C20H26N4O — CID 109203088

IUPAC[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)CNc1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-16(2)15-22-17-8-9-21-19(14-17)20(25)24-12-10-23(11-13-24)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,21,22)
InChIKeyPADNAISKUXTWJY-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.11
Rot. Bonds5

About [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone

[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109203088) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109203088
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC(C)CNc1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C20H26N4O/c1-16(2)15-22-17-8-9-21-19(14-17)20(25)24-12-10-23(11-13-24)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,21,22)
InChIKeyPADNAISKUXTWJY-UHFFFAOYSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-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]-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203100
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
[4-(3-methylbutylamino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216294
[4-(3-methylphenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202330
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109216106
2,3-dihydroindol-1-yl-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203131
N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109088442
3-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215208

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone (CID 109203088) is [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is CC(C)CNc1ccnc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is PADNAISKUXTWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16(2)15-22-17-8-9-21-19(14-17)20(25)24-12-10-23(11-13-24)18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,21,22).
What are the key properties of [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone?
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109203088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).