2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile

C16H17N3 — CID 81060441

IUPAC2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
SMILESCc1cccc(CNc2cc(C)nc(C)c2C#N)c1
InChIInChI=1S/C16H17N3/c1-11-5-4-6-14(7-11)10-18-16-8-12(2)19-13(3)15(16)9-17/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeySXVYQUBRUFLGTQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.49
Rot. Bonds3

About 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile

2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 81060441) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
PubChem CID81060441
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
SMILESCc1cccc(CNc2cc(C)nc(C)c2C#N)c1
InChIInChI=1S/C16H17N3/c1-11-5-4-6-14(7-11)10-18-16-8-12(2)19-13(3)15(16)9-17/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeySXVYQUBRUFLGTQ-UHFFFAOYSA-N
XLogP3.49
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]-4-methylbenzamide
CID 133396949
2,6-dimethyl-4-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133411675
4-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]benzamide
CID 133396427
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133396952
5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile
CID 107927097
2,6-dimethyl-4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133396583
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
5-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]furan-2-carboxylic acid
CID 81060334
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile
CID 133396475
4-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile (CID 81060441) is 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile is Cc1cccc(CNc2cc(C)nc(C)c2C#N)c1.
What is the InChIKey of 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is SXVYQUBRUFLGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-5-4-6-14(7-11)10-18-16-8-12(2)19-13(3)15(16)9-17/h4-8H,10H2,1-3H3,(H,18,19).
What are the key properties of 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 81060441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).