3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile

C38H36N6 — CID 71357012

IUPAC3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile
SMILESCc1ccc(CN(Cc2ccc(C)cc2)c2nc(C#N)c(N(Cc3ccc(C)cc3)Cc3ccc(C)cc3)nc2C#N)cc1
InChIInChI=1S/C38H36N6/c1-27-5-13-31(14-6-27)23-43(24-32-15-7-28(2)8-16-32)37-35(21-39)42-38(36(22-40)41-37)44(25-33-17-9-29(3)10-18-33)26-34-19-11-30(4)12-20-34/h5-20H,23-26H2,1-4H3
InChIKeyYZDDVYWVUZDSMP-UHFFFAOYSA-N
MW576.75 g/mol
LogP7.87
Rot. Bonds10

About 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile

3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile (PubChem CID 71357012) has the molecular formula C38H36N6 and a molecular weight of 576.75 g/mol. Its IUPAC name is 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile.

Molecular Properties

Compound Name3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile
PubChem CID71357012
Molecular FormulaC38H36N6
Molecular Weight576.75 g/mol
Exact Mass576.30
IUPAC Name3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile
SMILESCc1ccc(CN(Cc2ccc(C)cc2)c2nc(C#N)c(N(Cc3ccc(C)cc3)Cc3ccc(C)cc3)nc2C#N)cc1
InChIInChI=1S/C38H36N6/c1-27-5-13-31(14-6-27)23-43(24-32-15-7-28(2)8-16-32)37-35(21-39)42-38(36(22-40)41-37)44(25-33-17-9-29(3)10-18-33)26-34-19-11-30(4)12-20-34/h5-20H,23-26H2,1-4H3
InChIKeyYZDDVYWVUZDSMP-UHFFFAOYSA-N
XLogP7.87
TPSA79.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.75
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[methyl-[(4-methylphenyl)methyl]amino]pyrazine-2-carbonitrile
CID 62683839
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
N-[(4-methylphenyl)methyl]-N-oxidohydroxylamine
CID 163902937
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
4-bromo-5,6-dimethyl-N,N-bis[(4-methylphenyl)methyl]pyridin-2-amine
CID 170594613
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
4-[[(6-chloro-2-methylpyrimidin-4-yl)-propylamino]methyl]benzonitrile
CID 133384001
5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478313
methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide
CID 117043418
5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile
CID 82373758
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119
5-[bis[(4-methylphenyl)methyl]amino]benzene-1,3-dicarboxylic acid
CID 178047347

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile?
The IUPAC name of 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile (CID 71357012) is 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile.
What is the SMILES notation for 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile?
The canonical SMILES for 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile is Cc1ccc(CN(Cc2ccc(C)cc2)c2nc(C#N)c(N(Cc3ccc(C)cc3)Cc3ccc(C)cc3)nc2C#N)cc1.
What is the InChIKey of 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile?
The InChIKey is YZDDVYWVUZDSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N6/c1-27-5-13-31(14-6-27)23-43(24-32-15-7-28(2)8-16-32)37-35(21-39)42-38(36(22-40)41-37)44(25-33-17-9-29(3)10-18-33)26-34-19-11-30(4)12-20-34/h5-20H,23-26H2,1-4H3.
What are the key properties of 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile?
3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile has a molecular weight of 576.75 g/mol, XLogP of 7.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[bis[(4-methylphenyl)methyl]amino]pyrazine-2,5-dicarbonitrile is sourced from PubChem (CID 71357012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).