2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile

C16H19N5 — CID 56741060

IUPAC2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile
SMILESCCc1nc(-c2cc(C3CCC3)nc(N)c2C#N)c(C)[nH]1
InChIInChI=1S/C16H19N5/c1-3-14-19-9(2)15(21-14)11-7-13(10-5-4-6-10)20-16(18)12(11)8-17/h7,10H,3-6H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyCHLFAGAZWDGZFY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.06
Rot. Bonds3

About 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile

2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile (PubChem CID 56741060) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile
PubChem CID56741060
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile
SMILESCCc1nc(-c2cc(C3CCC3)nc(N)c2C#N)c(C)[nH]1
InChIInChI=1S/C16H19N5/c1-3-14-19-9(2)15(21-14)11-7-13(10-5-4-6-10)20-16(18)12(11)8-17/h7,10H,3-6H2,1-2H3,(H2,18,20)(H,19,21)
InChIKeyCHLFAGAZWDGZFY-UHFFFAOYSA-N
XLogP3.06
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile (CID 56741060) is 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile is CCc1nc(-c2cc(C3CCC3)nc(N)c2C#N)c(C)[nH]1.
What is the InChIKey of 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile?
The InChIKey is CHLFAGAZWDGZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-14-19-9(2)15(21-14)11-7-13(10-5-4-6-10)20-16(18)12(11)8-17/h7,10H,3-6H2,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile?
2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclobutyl-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56741060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).