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

C19H22N4O — CID 1448085

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccccc1N1CCN(c2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C19H22N4O/c1-14-12-15(2)21-19(16(14)13-20)23-10-8-22(9-11-23)17-6-4-5-7-18(17)24-3/h4-7,12H,8-11H2,1-3H3
InChIKeyILZJAHZTDQAWJP-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.91
Rot. Bonds3

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 1448085) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID1448085
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccccc1N1CCN(c2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C19H22N4O/c1-14-12-15(2)21-19(16(14)13-20)23-10-8-22(9-11-23)17-6-4-5-7-18(17)24-3/h4-7,12H,8-11H2,1-3H3
InChIKeyILZJAHZTDQAWJP-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-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile (CID 1448085) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is COc1ccccc1N1CCN(c2nc(C)cc(C)c2C#N)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ILZJAHZTDQAWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-12-15(2)21-19(16(14)13-20)23-10-8-22(9-11-23)17-6-4-5-7-18(17)24-3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile?
2-[4-(2-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-(2-methoxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 1448085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).