4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile

C15H16N4 — CID 104712146

IUPAC4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile
SMILESCc1cccc(CN(C)c2cc(C#N)ccc2N)n1
InChIInChI=1S/C15H16N4/c1-11-4-3-5-13(18-11)10-19(2)15-8-12(9-16)6-7-14(15)17/h3-8H,10,17H2,1-2H3
InChIKeyQQNSSBIIBYAELZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.48
Rot. Bonds3

About 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile

4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile (PubChem CID 104712146) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile.

Molecular Properties

Compound Name4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile
PubChem CID104712146
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile
SMILESCc1cccc(CN(C)c2cc(C#N)ccc2N)n1
InChIInChI=1S/C15H16N4/c1-11-4-3-5-13(18-11)10-19(2)15-8-12(9-16)6-7-14(15)17/h3-8H,10,17H2,1-2H3
InChIKeyQQNSSBIIBYAELZ-UHFFFAOYSA-N
XLogP2.48
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114766459
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzonitrile
CID 104711530
3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-4-carbonitrile
CID 114287741
4-amino-3-[methyl(2-methylsulfanylethyl)amino]benzonitrile
CID 104712233
4-amino-3-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 104711488
4-amino-3-[methyl(1H-pyrrol-3-ylmethyl)amino]benzonitrile
CID 115127301
4-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3-methylbenzonitrile
CID 114481266
3-[(2-amino-5-chloro-N-methylanilino)methyl]benzonitrile
CID 115468933
4-amino-3-[(5-bromothiophen-2-yl)methyl-methylamino]benzonitrile
CID 115127299
4-amino-3-[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]benzonitrile
CID 115127340
2-(1-aminoethyl)-4-bromo-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 82967969
4-amino-3-[methyl(2-propan-2-yloxyethyl)amino]benzonitrile
CID 104712165

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile?
The IUPAC name of 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile (CID 104712146) is 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile.
What is the SMILES notation for 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile?
The canonical SMILES for 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile is Cc1cccc(CN(C)c2cc(C#N)ccc2N)n1.
What is the InChIKey of 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile?
The InChIKey is QQNSSBIIBYAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-4-3-5-13(18-11)10-19(2)15-8-12(9-16)6-7-14(15)17/h3-8H,10,17H2,1-2H3.
What are the key properties of 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile?
4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]benzonitrile is sourced from PubChem (CID 104712146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).