2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile

C17H19N3 — CID 748943

IUPAC2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile
SMILESCc1c(CC(C)C)nc(N)c(C#N)c1-c1ccccc1
InChIInChI=1S/C17H19N3/c1-11(2)9-15-12(3)16(13-7-5-4-6-8-13)14(10-18)17(19)20-15/h4-8,11H,9H2,1-3H3,(H2,19,20)
InChIKeyGBNRFZRZBGGHHB-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.71
Rot. Bonds3

About 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile

2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile (PubChem CID 748943) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile
PubChem CID748943
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile
SMILESCc1c(CC(C)C)nc(N)c(C#N)c1-c1ccccc1
InChIInChI=1S/C17H19N3/c1-11(2)9-15-12(3)16(13-7-5-4-6-8-13)14(10-18)17(19)20-15/h4-8,11H,9H2,1-3H3,(H2,19,20)
InChIKeyGBNRFZRZBGGHHB-UHFFFAOYSA-N
XLogP3.71
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile (CID 748943) is 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile is Cc1c(CC(C)C)nc(N)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile?
The InChIKey is GBNRFZRZBGGHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11(2)9-15-12(3)16(13-7-5-4-6-8-13)14(10-18)17(19)20-15/h4-8,11H,9H2,1-3H3,(H2,19,20).
What are the key properties of 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile?
2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-6-(2-methylpropyl)-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 748943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).