2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile

C35H48N4 — CID 46927347

IUPAC2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(C(C)(C)C)cc2C(C)(C)C)nc(Nc2ccc(C(C)(C)C)cc2C(C)(C)C)c1C#N
InChIInChI=1S/C35H48N4/c1-22-18-30(37-28-16-14-23(32(2,3)4)19-26(28)34(8,9)10)39-31(25(22)21-36)38-29-17-15-24(33(5,6)7)20-27(29)35(11,12)13/h14-20H,1-13H3,(H2,37,38,39)
InChIKeyZAAUAZIMPCIYAT-UHFFFAOYSA-N
MW524.80 g/mol
LogP9.94
Rot. Bonds4

About 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile

2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile (PubChem CID 46927347) has the molecular formula C35H48N4 and a molecular weight of 524.80 g/mol. Its IUPAC name is 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile
PubChem CID46927347
Molecular FormulaC35H48N4
Molecular Weight524.80 g/mol
Exact Mass524.39
IUPAC Name2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(Nc2ccc(C(C)(C)C)cc2C(C)(C)C)nc(Nc2ccc(C(C)(C)C)cc2C(C)(C)C)c1C#N
InChIInChI=1S/C35H48N4/c1-22-18-30(37-28-16-14-23(32(2,3)4)19-26(28)34(8,9)10)39-31(25(22)21-36)38-29-17-15-24(33(5,6)7)20-27(29)35(11,12)13/h14-20H,1-13H3,(H2,37,38,39)
InChIKeyZAAUAZIMPCIYAT-UHFFFAOYSA-N
XLogP9.94
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.80
LogP ≤ 59.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 750176
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
2,6-dihydrazinyl-4-methylpyridine-3-carbonitrile
CID 53405262
2,6-bis[2-(dimethylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 46927197
2-(2-fluoro-5-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 61175928
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile
CID 67098729
2-(2-bromo-5-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107635298
4,6-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridine-3-carbonitrile
CID 61175143
2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 706821
2-chloro-6-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 83077729
2-[2-chloro-4-(trifluoromethyl)anilino]-6-methylpyridine-4-carbonitrile
CID 114766291

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile (CID 46927347) is 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile is Cc1cc(Nc2ccc(C(C)(C)C)cc2C(C)(C)C)nc(Nc2ccc(C(C)(C)C)cc2C(C)(C)C)c1C#N.
What is the InChIKey of 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile?
The InChIKey is ZAAUAZIMPCIYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N4/c1-22-18-30(37-28-16-14-23(32(2,3)4)19-26(28)34(8,9)10)39-31(25(22)21-36)38-29-17-15-24(33(5,6)7)20-27(29)35(11,12)13/h14-20H,1-13H3,(H2,37,38,39).
What are the key properties of 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile?
2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile has a molecular weight of 524.80 g/mol, XLogP of 9.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,4-ditert-butylanilino)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 46927347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).