4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile

C15H15N3 — CID 62925132

IUPAC4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
SMILESCc1cccc(CN(C)c2ccnc(C#N)c2)c1
InChIInChI=1S/C15H15N3/c1-12-4-3-5-13(8-12)11-18(2)15-6-7-17-14(9-15)10-16/h3-9H,11H2,1-2H3
InChIKeyCDUGLQIWYXHUKZ-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.90
Rot. Bonds3

About 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile

4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 62925132) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
PubChem CID62925132
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile
SMILESCc1cccc(CN(C)c2ccnc(C#N)c2)c1
InChIInChI=1S/C15H15N3/c1-12-4-3-5-13(8-12)11-18(2)15-6-7-17-14(9-15)10-16/h3-9H,11H2,1-2H3
InChIKeyCDUGLQIWYXHUKZ-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

4-[(N,3,5-trimethylanilino)methyl]pyridine-2-carbonitrile
CID 63884612
2-(chloromethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 61411722
4-[methyl-[(2-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62491987
4-[(N,3-dimethylanilino)methyl]-N-methylpyridin-2-amine
CID 62470893
4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 55151643
3-[[methyl-(4-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 62968974
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
4-[[methyl-(2-methyl-4-pyridinyl)amino]methyl]benzonitrile
CID 133489486
4-[(2-amino-N-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881172
4-[2-ethoxyethyl(methyl)amino]pyridine-2-carbonitrile
CID 81055827
ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
CID 55210694
4-(bromomethyl)-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 107080889

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile (CID 62925132) is 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile is Cc1cccc(CN(C)c2ccnc(C#N)c2)c1.
What is the InChIKey of 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is CDUGLQIWYXHUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-12-4-3-5-13(8-12)11-18(2)15-6-7-17-14(9-15)10-16/h3-9H,11H2,1-2H3.
What are the key properties of 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile?
4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-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 4-[methyl-[(3-methylphenyl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 62925132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).