2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile

C24H24N4O — CID 1486851

IUPAC2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C#N
InChIInChI=1S/C24H24N4O/c1-29-22-12-13-26-24(21(22)18-25)28-16-14-27(15-17-28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,23H,14-17H2,1H3
InChIKeyJAWMHNZZALKGQT-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.87
Rot. Bonds5

About 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile

2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile (PubChem CID 1486851) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile
PubChem CID1486851
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile
SMILESCOc1ccnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C#N
InChIInChI=1S/C24H24N4O/c1-29-22-12-13-26-24(21(22)18-25)28-16-14-27(15-17-28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,23H,14-17H2,1H3
InChIKeyJAWMHNZZALKGQT-UHFFFAOYSA-N
XLogP3.87
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile (CID 1486851) is 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile is COc1ccnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C#N.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile?
The InChIKey is JAWMHNZZALKGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-29-22-12-13-26-24(21(22)18-25)28-16-14-27(15-17-28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,23H,14-17H2,1H3.
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile?
2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile has a molecular weight of 384.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 1486851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).