[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C16H26N4O — CID 109208113

IUPAC[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)CCNc1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H26N4O/c1-13(2)4-6-17-14-5-7-18-15(12-14)16(21)20-10-8-19(3)9-11-20/h5,7,12-13H,4,6,8-11H2,1-3H3,(H,17,18)
InChIKeyGAZUNNCUDIMIIZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds5

About [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109208113) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109208113
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)CCNc1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H26N4O/c1-13(2)4-6-17-14-5-7-18-15(12-14)16(21)20-10-8-19(3)9-11-20/h5,7,12-13H,4,6,8-11H2,1-3H3,(H,17,18)
InChIKeyGAZUNNCUDIMIIZ-UHFFFAOYSA-N
XLogP1.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-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]-piperidin-1-ylmethanone
CID 109204430
[4-(3-methylbutylamino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109216294
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302252
(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202285
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
[4-(ethylamino)-2-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 62168232
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
[4-[(3-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208062
(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109208075
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
[4-(3-methylbutylamino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109217477

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109208113) is [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CC(C)CCNc1ccnc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GAZUNNCUDIMIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(2)4-6-17-14-5-7-18-15(12-14)16(21)20-10-8-19(3)9-11-20/h5,7,12-13H,4,6,8-11H2,1-3H3,(H,17,18).
What are the key properties of [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).