3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile

C15H16N4 — CID 82817363

IUPAC3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
SMILESCC(C)c1cccc(Nc2nccc(C#N)c2N)c1
InChIInChI=1S/C15H16N4/c1-10(2)11-4-3-5-13(8-11)19-15-14(17)12(9-16)6-7-18-15/h3-8,10H,17H2,1-2H3,(H,18,19)
InChIKeyDSFCDQCFHDPFDD-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.40
Rot. Bonds3

About 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile

3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile (PubChem CID 82817363) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
PubChem CID82817363
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
SMILESCC(C)c1cccc(Nc2nccc(C#N)c2N)c1
InChIInChI=1S/C15H16N4/c1-10(2)11-4-3-5-13(8-11)19-15-14(17)12(9-16)6-7-18-15/h3-8,10H,17H2,1-2H3,(H,18,19)
InChIKeyDSFCDQCFHDPFDD-UHFFFAOYSA-N
XLogP3.40
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(3-propan-2-ylanilino)pyridine-4-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

2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
3-amino-2-(3,4-dimethylanilino)pyridine-4-carbonitrile
CID 82817679
6-chloro-4-N-(3-propan-2-ylphenyl)pyrimidine-4,5-diamine
CID 60726133
3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 82817119
3-amino-2-(4-bromo-3-fluoroanilino)pyridine-4-carbonitrile
CID 82813369
3-amino-2-(3-bromo-4-iodoanilino)pyridine-4-carbonitrile
CID 114261881
3-chloro-2-(4-propan-2-ylanilino)pyridine-4-carbonitrile
CID 107056741
3-amino-2-[4-(cyanomethyl)anilino]pyridine-4-carbonitrile
CID 82817545
3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 82817603
4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 63510093
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235
5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile
CID 162638703

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile (CID 82817363) is 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile is CC(C)c1cccc(Nc2nccc(C#N)c2N)c1.
What is the InChIKey of 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile?
The InChIKey is DSFCDQCFHDPFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10(2)11-4-3-5-13(8-11)19-15-14(17)12(9-16)6-7-18-15/h3-8,10H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile?
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).