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'}

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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).