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[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C23H32N4O — CID 109186401

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccc(C(=O)N2CCN(C)CC2)nc1
InChIInChI=1S/C23H32N4O/c1-16(2)19-7-6-8-20(17(3)4)22(19)25-18-9-10-21(24-15-18)23(28)27-13-11-26(5)12-14-27/h6-10,15-17,25H,11-14H2,1-5H3
InChIKeyOTOVWBVPSZIKKA-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.46
Rot. Bonds5

About [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109186401) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109186401
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)c1cccc(C(C)C)c1Nc1ccc(C(=O)N2CCN(C)CC2)nc1
InChIInChI=1S/C23H32N4O/c1-16(2)19-7-6-8-20(17(3)4)22(19)25-18-9-10-21(24-15-18)23(28)27-13-11-26(5)12-14-27/h6-10,15-17,25H,11-14H2,1-5H3
InChIKeyOTOVWBVPSZIKKA-UHFFFAOYSA-N
XLogP4.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109186401) is [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CC(C)c1cccc(C(C)C)c1Nc1ccc(C(=O)N2CCN(C)CC2)nc1.
What is the InChIKey of [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OTOVWBVPSZIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-16(2)19-7-6-8-20(17(3)4)22(19)25-18-9-10-21(24-15-18)23(28)27-13-11-26(5)12-14-27/h6-10,15-17,25H,11-14H2,1-5H3.
What are the key properties of [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 380.54 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109186401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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