6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile

C17H19N3 — CID 133392527

IUPAC6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile
SMILESCc1ccccc1C(Nc1cccc(C#N)n1)C(C)C
InChIInChI=1S/C17H19N3/c1-12(2)17(15-9-5-4-7-13(15)3)20-16-10-6-8-14(11-18)19-16/h4-10,12,17H,1-3H3,(H,19,20)
InChIKeyNNUFKTLTQRFSFY-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.07
Rot. Bonds4

About 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile

6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile (PubChem CID 133392527) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile
PubChem CID133392527
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile
SMILESCc1ccccc1C(Nc1cccc(C#N)n1)C(C)C
InChIInChI=1S/C17H19N3/c1-12(2)17(15-9-5-4-7-13(15)3)20-16-10-6-8-14(11-18)19-16/h4-10,12,17H,1-3H3,(H,19,20)
InChIKeyNNUFKTLTQRFSFY-UHFFFAOYSA-N
XLogP4.07
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 64589763
6-(pent-4-yn-2-ylamino)pyridine-2-carbonitrile
CID 115658850
6-(1-cyclobutylethylamino)pyridine-2-carbonitrile
CID 115766717
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
methyl 2-[(6-cyano-2-pyridinyl)amino]-4-methylpentanoate
CID 64588746
2-[(6-cyano-2-pyridinyl)amino]-2-phenylacetamide
CID 133392006
6-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]pyridine-2-carbonitrile
CID 86816236
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 133331028
6-(2-methylphenyl)pyridine-2-carbonitrile
CID 55265377
6-[[cyclobutyl(phenyl)methyl]amino]pyridine-2-carbonitrile
CID 133392449
6-(3-methylsulfanylbutylamino)pyridine-2-carbonitrile
CID 115766580

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile (CID 133392527) is 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile is Cc1ccccc1C(Nc1cccc(C#N)n1)C(C)C.
What is the InChIKey of 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile?
The InChIKey is NNUFKTLTQRFSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12(2)17(15-9-5-4-7-13(15)3)20-16-10-6-8-14(11-18)19-16/h4-10,12,17H,1-3H3,(H,19,20).
What are the key properties of 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile?
6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).