6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile

C20H24N2 — CID 121250670

IUPAC6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile
SMILESCc1cc(C)c(Cc2ccc(C(C)(C)C)nc2C#N)c(C)c1
InChIInChI=1S/C20H24N2/c1-13-9-14(2)17(15(3)10-13)11-16-7-8-19(20(4,5)6)22-18(16)12-21/h7-10H,11H2,1-6H3
InChIKeySCHNDJDKXGCIRN-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.77
Rot. Bonds2

About 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile

6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile (PubChem CID 121250670) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile
PubChem CID121250670
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile
SMILESCc1cc(C)c(Cc2ccc(C(C)(C)C)nc2C#N)c(C)c1
InChIInChI=1S/C20H24N2/c1-13-9-14(2)17(15(3)10-13)11-16-7-8-19(20(4,5)6)22-18(16)12-21/h7-10H,11H2,1-6H3
InChIKeySCHNDJDKXGCIRN-UHFFFAOYSA-N
XLogP4.77
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile (CID 121250670) is 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile is Cc1cc(C)c(Cc2ccc(C(C)(C)C)nc2C#N)c(C)c1.
What is the InChIKey of 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile?
The InChIKey is SCHNDJDKXGCIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-13-9-14(2)17(15(3)10-13)11-16-7-8-19(20(4,5)6)22-18(16)12-21/h7-10H,11H2,1-6H3.
What are the key properties of 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile?
6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile has a molecular weight of 292.43 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[(2,4,6-trimethylphenyl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 121250670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).