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

C15H19N5 — CID 56750954

IUPAC2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile
SMILESCCc1nc(-c2cc(C(C)C)nc(N)c2C#N)c(C)[nH]1
InChIInChI=1S/C15H19N5/c1-5-13-18-9(4)14(20-13)10-6-12(8(2)3)19-15(17)11(10)7-16/h6,8H,5H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyDLGDOBXZTUUASS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.92
Rot. Bonds3

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

2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 56750954) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID56750954
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile
SMILESCCc1nc(-c2cc(C(C)C)nc(N)c2C#N)c(C)[nH]1
InChIInChI=1S/C15H19N5/c1-5-13-18-9(4)14(20-13)10-6-12(8(2)3)19-15(17)11(10)7-16/h6,8H,5H2,1-4H3,(H2,17,19)(H,18,20)
InChIKeyDLGDOBXZTUUASS-UHFFFAOYSA-N
XLogP2.92
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile (CID 56750954) is 2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile is CCc1nc(-c2cc(C(C)C)nc(N)c2C#N)c(C)[nH]1.
What is the InChIKey of 2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is DLGDOBXZTUUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-5-13-18-9(4)14(20-13)10-6-12(8(2)3)19-15(17)11(10)7-16/h6,8H,5H2,1-4H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile?
2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 56750954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).