2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

C19H22N4O — CID 1448140

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)c1
InChIInChI=1S/C19H22N4O/c1-14-11-15(2)21-19(18(14)13-20)23-9-7-22(8-10-23)16-5-4-6-17(12-16)24-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyZLTKPHGURTUDEZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.91
Rot. Bonds3

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile

2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 1448140) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID1448140
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)c1
InChIInChI=1S/C19H22N4O/c1-14-11-15(2)21-19(18(14)13-20)23-9-7-22(8-10-23)16-5-4-6-17(12-16)24-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyZLTKPHGURTUDEZ-UHFFFAOYSA-N
XLogP2.91
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 1448140) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is COc1cccc(N2CCN(c3nc(C)cc(C)c3C#N)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZLTKPHGURTUDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-11-15(2)21-19(18(14)13-20)23-9-7-22(8-10-23)16-5-4-6-17(12-16)24-3/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 322.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 1448140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).