2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile

C22H21N3 — CID 164912177

IUPAC2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1cc(C)cc(Nc2ncc(-c3cc(C)cc(C)c3)cc2C#N)c1
InChIInChI=1S/C22H21N3/c1-14-5-15(2)8-18(7-14)20-11-19(12-23)22(24-13-20)25-21-9-16(3)6-17(4)10-21/h5-11,13H,1-4H3,(H,24,25)
InChIKeyZZRQGUZUVUOVRF-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.60
Rot. Bonds3

About 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile

2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile (PubChem CID 164912177) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile
PubChem CID164912177
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile
SMILESCc1cc(C)cc(Nc2ncc(-c3cc(C)cc(C)c3)cc2C#N)c1
InChIInChI=1S/C22H21N3/c1-14-5-15(2)8-18(7-14)20-11-19(12-23)22(24-13-20)25-21-9-16(3)6-17(4)10-21/h5-11,13H,1-4H3,(H,24,25)
InChIKeyZZRQGUZUVUOVRF-UHFFFAOYSA-N
XLogP5.60
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-phenylpyridine-3-carbonitrile
CID 164912151
4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid
CID 21001889
2-(3,5-dimethylanilino)-5-methylbenzonitrile
CID 107926938
2-(3,5-dimethylanilino)-6-methyl-5-propan-2-ylpyridine-3-carbonitrile
CID 164912211
5-amino-2-(4-bromo-3-methylanilino)pyridine-3-carbonitrile
CID 54938559
2-(3-chloro-4-methoxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004408
5-(3,5-dimethylphenyl)-N,3-dimethylpyridin-2-amine
CID 134417392
2-(2-hydroxyanilino)-5-phenylpyridine-3-carbonitrile
CID 21004427
2-(1,3-benzodioxol-5-ylamino)-5-phenylpyridine-3-carbonitrile
CID 21001885
5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile
CID 54860748
5-(3,5-dimethylanilino)pyrazine-2-carbonitrile
CID 63658538
3-chloro-2-(3-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 107057985

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile (CID 164912177) is 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile is Cc1cc(C)cc(Nc2ncc(-c3cc(C)cc(C)c3)cc2C#N)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile?
The InChIKey is ZZRQGUZUVUOVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-14-5-15(2)8-18(7-14)20-11-19(12-23)22(24-13-20)25-21-9-16(3)6-17(4)10-21/h5-11,13H,1-4H3,(H,24,25).
What are the key properties of 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile?
2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-5-(3,5-dimethylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 164912177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).