2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile

C15H15N3 — CID 81274208

IUPAC2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCc1cccc(CNc2ccc(C#N)c(C)c2)n1
InChIInChI=1S/C15H15N3/c1-11-8-14(7-6-13(11)9-16)17-10-15-5-3-4-12(2)18-15/h3-8,17H,10H2,1-2H3
InChIKeyASDCOUVAYASNMA-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.18
Rot. Bonds3

About 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile

2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile (PubChem CID 81274208) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile
PubChem CID81274208
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCc1cccc(CNc2ccc(C#N)c(C)c2)n1
InChIInChI=1S/C15H15N3/c1-11-8-14(7-6-13(11)9-16)17-10-15-5-3-4-12(2)18-15/h3-8,17H,10H2,1-2H3
InChIKeyASDCOUVAYASNMA-UHFFFAOYSA-N
XLogP3.18
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(pyridin-2-ylmethylamino)benzonitrile
CID 81272878
4-(benzylamino)-2-methylbenzonitrile
CID 81272992
2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenecarbothioamide
CID 81276833
2-methyl-4-(pyridin-4-ylmethylamino)benzonitrile
CID 81274455
3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine
CID 62323012
2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 114183772
3-ethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79268214
N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79268037
2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 62307193
4-[(4-cyano-3-methylanilino)methyl]-3-fluorobenzonitrile
CID 81273859
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 62309272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile (CID 81274208) is 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile is Cc1cccc(CNc2ccc(C#N)c(C)c2)n1.
What is the InChIKey of 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile?
The InChIKey is ASDCOUVAYASNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-8-14(7-6-13(11)9-16)17-10-15-5-3-4-12(2)18-15/h3-8,17H,10H2,1-2H3.
What are the key properties of 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile?
2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(6-methyl-2-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 81274208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).