6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile

C16H18N4 — CID 60874951

IUPAC6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
SMILESCC(C)N(Cc1ccccc1N)c1ccc(C#N)cn1
InChIInChI=1S/C16H18N4/c1-12(2)20(11-14-5-3-4-6-15(14)18)16-8-7-13(9-17)10-19-16/h3-8,10,12H,11,18H2,1-2H3
InChIKeyWTYSZONISSYQHH-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.95
Rot. Bonds4

About 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile

6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile (PubChem CID 60874951) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
PubChem CID60874951
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
SMILESCC(C)N(Cc1ccccc1N)c1ccc(C#N)cn1
InChIInChI=1S/C16H18N4/c1-12(2)20(11-14-5-3-4-6-15(14)18)16-8-7-13(9-17)10-19-16/h3-8,10,12H,11,18H2,1-2H3
InChIKeyWTYSZONISSYQHH-UHFFFAOYSA-N
XLogP2.95
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-aminophenyl)methyl]-6-ethyl-N-propan-2-ylpyrimidin-4-amine
CID 61239358
N-[(2-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476643
N-[(2-aminophenyl)methyl]-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 61225311
N-[(2-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869638
N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 60875898
2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
CID 60876648
N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
CID 114836412
3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103467234
N-[(2-aminophenyl)methyl]-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60876647
6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 79719998
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile (CID 60874951) is 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile is CC(C)N(Cc1ccccc1N)c1ccc(C#N)cn1.
What is the InChIKey of 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile?
The InChIKey is WTYSZONISSYQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12(2)20(11-14-5-3-4-6-15(14)18)16-8-7-13(9-17)10-19-16/h3-8,10,12H,11,18H2,1-2H3.
What are the key properties of 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile?
6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 60874951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).