2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile

C15H16N6 — CID 2999153

IUPAC2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile
SMILESC=C(C)CN(CC)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C15H16N6/c1-4-21(9-10(2)3)15-13(8-18)11(5-6-16)12(7-17)14(19)20-15/h2,4-5,9H2,1,3H3,(H2,19,20)
InChIKeyKBCPAMRQUBLWBR-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.88
Rot. Bonds5

About 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile (PubChem CID 2999153) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile
PubChem CID2999153
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile
SMILESC=C(C)CN(CC)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C15H16N6/c1-4-21(9-10(2)3)15-13(8-18)11(5-6-16)12(7-17)14(19)20-15/h2,4-5,9H2,1,3H3,(H2,19,20)
InChIKeyKBCPAMRQUBLWBR-UHFFFAOYSA-N
XLogP1.88
TPSA113.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile 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

3,4,5-Pyridinetricarbonitrile, 2-amino-6-(dimethylamino)-
CID 265404
3-(Benzylamino)-1-(diethylamino)-7-ethyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
CID 630595
2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile
CID 684664
7-methyl-3-(3-methylbutylamino)-1-(1-pyrrolidinyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 666067
4,6-Dimethyl-2-(pyrrolidin-1-yl)nicotinonitrile
CID 892982
AN-584/43420507
CID 3643325
2-Amino-4-(cyanomethyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
CID 4615395
2-Amino-6-(butylethylamino)-4-(cyanomethyl)-3,5-pyridinedicarbonitrile
CID 4685253
3,5-Pyridinedicarbonitrile, 2-amino-4-(cyanomethyl)-6-(diethylamino)-
CID 730216
2-Amino-4-(cyanomethyl)-6-(4-formylpiperazin-1-yl)pyridine-3,5-dicarbonitrile
CID 3371158
2-Amino-4-(cyanomethyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3,5-dicarbonitrile
CID 4408902
2-(4-Acetyl-1-piperazinyl)-6-amino-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
CID 5139167

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile (CID 2999153) is 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile is C=C(C)CN(CC)c1nc(N)c(C#N)c(CC#N)c1C#N.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile?
The InChIKey is KBCPAMRQUBLWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-4-21(9-10(2)3)15-13(8-18)11(5-6-16)12(7-17)14(19)20-15/h2,4-5,9H2,1,3H3,(H2,19,20).
What are the key properties of 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile has a molecular weight of 280.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyanomethyl)-6-[ethyl(2-methylprop-2-enyl)amino]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2999153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).