2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

C23H24N4 — CID 166370618

IUPAC2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCc1ccc2c(CN3CCN(c4cc(C#N)ccn4)CC3)c(C)ccc2c1
InChIInChI=1S/C23H24N4/c1-17-3-6-21-20(13-17)5-4-18(2)22(21)16-26-9-11-27(12-10-26)23-14-19(15-24)7-8-25-23/h3-8,13-14H,9-12,16H2,1-2H3
InChIKeyKQAVNIIXDXALFV-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.05
Rot. Bonds3

About 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 166370618) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID166370618
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCc1ccc2c(CN3CCN(c4cc(C#N)ccn4)CC3)c(C)ccc2c1
InChIInChI=1S/C23H24N4/c1-17-3-6-21-20(13-17)5-4-18(2)22(21)16-26-9-11-27(12-10-26)23-14-19(15-24)7-8-25-23/h3-8,13-14H,9-12,16H2,1-2H3
InChIKeyKQAVNIIXDXALFV-UHFFFAOYSA-N
XLogP4.05
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36638093
2-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 166234338
N-(2-bromo-4-methylphenyl)-2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 36632091
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]pyridine-4-carbonitrile
CID 55201410
2-[4-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36633570
2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36634426
2-[4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 31962165
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 36643556
2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
CID 55159492
2-[4-[[4-(4-methylphenyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 24663921

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 166370618) is 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile is Cc1ccc2c(CN3CCN(c4cc(C#N)ccn4)CC3)c(C)ccc2c1.
What is the InChIKey of 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is KQAVNIIXDXALFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-17-3-6-21-20(13-17)5-4-18(2)22(21)16-26-9-11-27(12-10-26)23-14-19(15-24)7-8-25-23/h3-8,13-14H,9-12,16H2,1-2H3.
What are the key properties of 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 356.47 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dimethylnaphthalen-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 166370618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).