6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile

C15H15N3 — CID 28799351

IUPAC6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(CN(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C15H15N3/c1-12-3-5-13(6-4-12)11-18(2)15-8-7-14(9-16)10-17-15/h3-8,10H,11H2,1-2H3
InChIKeyKVLFUWGLGGLAFP-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.90
Rot. Bonds3

About 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile

6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile (PubChem CID 28799351) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
PubChem CID28799351
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(CN(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C15H15N3/c1-12-3-5-13(6-4-12)11-18(2)15-8-7-14(9-16)10-17-15/h3-8,10H,11H2,1-2H3
InChIKeyKVLFUWGLGGLAFP-UHFFFAOYSA-N
XLogP2.90
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964
6-[methyl-[(4-methylphenyl)methyl]amino]pyrimidine-4-carbonitrile
CID 115142979
5-(2-aminopropyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 80633800
6-[(5-bromothiophen-2-yl)methyl-methylamino]pyridine-3-carbonitrile
CID 51301153
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
CID 80652508
3-[methyl-[(4-methylphenyl)methyl]amino]pyrazine-2-carbonitrile
CID 62683839
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide
CID 28799322
3-[[(5-fluoro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 62968970

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile (CID 28799351) is 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile is Cc1ccc(CN(C)c2ccc(C#N)cn2)cc1.
What is the InChIKey of 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile?
The InChIKey is KVLFUWGLGGLAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12-3-5-13(6-4-12)11-18(2)15-8-7-14(9-16)10-17-15/h3-8,10H,11H2,1-2H3.
What are the key properties of 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile?
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 28799351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).