2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile

C17H22N6 — CID 2998008

IUPAC2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
SMILESCC(C)CN(CC(C)C)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C17H22N6/c1-11(2)9-23(10-12(3)4)17-15(8-20)13(5-6-18)14(7-19)16(21)22-17/h11-12H,5,9-10H2,1-4H3,(H2,21,22)
InChIKeyQLYOCEHYVVYYPD-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile

2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile (PubChem CID 2998008) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
PubChem CID2998008
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
SMILESCC(C)CN(CC(C)C)c1nc(N)c(C#N)c(CC#N)c1C#N
InChIInChI=1S/C17H22N6/c1-11(2)9-23(10-12(3)4)17-15(8-20)13(5-6-18)14(7-19)16(21)22-17/h11-12H,5,9-10H2,1-4H3,(H2,21,22)
InChIKeyQLYOCEHYVVYYPD-UHFFFAOYSA-N
XLogP2.59
TPSA113.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile (CID 2998008) is 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile is CC(C)CN(CC(C)C)c1nc(N)c(C#N)c(CC#N)c1C#N.
What is the InChIKey of 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile?
The InChIKey is QLYOCEHYVVYYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-11(2)9-23(10-12(3)4)17-15(8-20)13(5-6-18)14(7-19)16(21)22-17/h11-12H,5,9-10H2,1-4H3,(H2,21,22).
What are the key properties of 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile?
2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile has a molecular weight of 310.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2998008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).