4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile

C17H19N3 — CID 63510093

IUPAC4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cccc(C(C)C)c2)n1
InChIInChI=1S/C17H19N3/c1-11(2)14-6-5-7-15(9-14)20-17-16(10-18)12(3)8-13(4)19-17/h5-9,11H,1-4H3,(H,19,20)
InChIKeyHAJPMJMCQANSMO-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.44
Rot. Bonds3

About 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile

4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile (PubChem CID 63510093) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
PubChem CID63510093
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cccc(C(C)C)c2)n1
InChIInChI=1S/C17H19N3/c1-11(2)14-6-5-7-15(9-14)20-17-16(10-18)12(3)8-13(4)19-17/h5-9,11H,1-4H3,(H,19,20)
InChIKeyHAJPMJMCQANSMO-UHFFFAOYSA-N
XLogP4.44
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-(4-propan-2-ylanilino)pyridine-3-carbonitrile
CID 60710577
2-(3-iodoanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 63511438
5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile
CID 162638703
2-(3-chloro-4-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 55195359
2-(2-cyano-3-methylanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 107805421
2-(4-fluoroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 706821
2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
CID 784964
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
CID 78910919
4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile
CID 61175342
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
CID 82817363

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile (CID 63510093) is 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Nc2cccc(C(C)C)c2)n1.
What is the InChIKey of 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile?
The InChIKey is HAJPMJMCQANSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11(2)14-6-5-7-15(9-14)20-17-16(10-18)12(3)8-13(4)19-17/h5-9,11H,1-4H3,(H,19,20).
What are the key properties of 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile?
4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 63510093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).