2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile

C22H21N3 — CID 3513608

IUPAC2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3cc(C)ccc3C)c(C#N)c(N)n2)c1
InChIInChI=1S/C22H21N3/c1-13-5-7-15(3)17(9-13)19-11-21(25-22(24)20(19)12-23)18-10-14(2)6-8-16(18)4/h5-11H,1-4H3,(H2,24,25)
InChIKeyICMGUXRVMICQPC-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.10
Rot. Bonds2

About 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile

2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile (PubChem CID 3513608) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
PubChem CID3513608
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3cc(C)ccc3C)c(C#N)c(N)n2)c1
InChIInChI=1S/C22H21N3/c1-13-5-7-15(3)17(9-13)19-11-21(25-22(24)20(19)12-23)18-10-14(2)6-8-16(18)4/h5-11H,1-4H3,(H2,24,25)
InChIKeyICMGUXRVMICQPC-UHFFFAOYSA-N
XLogP5.10
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3517163
2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3506050
2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3517156
2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3505771
2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
CID 5118538
2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3396959
2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3464753
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 3480329
4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894862
2-amino-6-(2,4-dimethylphenyl)-4-(2-ethoxyphenyl)pyridine-3-carbonitrile
CID 3464758

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile (CID 3513608) is 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile is Cc1ccc(C)c(-c2cc(-c3cc(C)ccc3C)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile?
The InChIKey is ICMGUXRVMICQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-13-5-7-15(3)17(9-13)19-11-21(25-22(24)20(19)12-23)18-10-14(2)6-8-16(18)4/h5-11H,1-4H3,(H2,24,25).
What are the key properties of 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile?
2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3513608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).