2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile

C16H18N4 — CID 933872

IUPAC2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2cccnc2)c1CC
InChIInChI=1S/C16H18N4/c1-3-6-14-12(4-2)15(11-7-5-8-19-10-11)13(9-17)16(18)20-14/h5,7-8,10H,3-4,6H2,1-2H3,(H2,18,20)
InChIKeyGVNIOZQBNBBPNT-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.11
Rot. Bonds4

About 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile

2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 933872) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID933872
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2cccnc2)c1CC
InChIInChI=1S/C16H18N4/c1-3-6-14-12(4-2)15(11-7-5-8-19-10-11)13(9-17)16(18)20-14/h5,7-8,10H,3-4,6H2,1-2H3,(H2,18,20)
InChIKeyGVNIOZQBNBBPNT-UHFFFAOYSA-N
XLogP3.11
TPSA75.59 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile (CID 933872) is 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile is CCCc1nc(N)c(C#N)c(-c2cccnc2)c1CC.
What is the InChIKey of 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is GVNIOZQBNBBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-3-6-14-12(4-2)15(11-7-5-8-19-10-11)13(9-17)16(18)20-14/h5,7-8,10H,3-4,6H2,1-2H3,(H2,18,20).
What are the key properties of 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile?
2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-6-propyl-4-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 933872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).