2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile

C15H15N3 — CID 791078

IUPAC2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile
SMILESCCc1c(C)nc(N)c(C#N)c1-c1ccccc1
InChIInChI=1S/C15H15N3/c1-3-12-10(2)18-15(17)13(9-16)14(12)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H2,17,18)
InChIKeyUGQOIACTGXEIRT-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.07
Rot. Bonds2

About 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile

2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile (PubChem CID 791078) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile
PubChem CID791078
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile
SMILESCCc1c(C)nc(N)c(C#N)c1-c1ccccc1
InChIInChI=1S/C15H15N3/c1-3-12-10(2)18-15(17)13(9-16)14(12)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H2,17,18)
InChIKeyUGQOIACTGXEIRT-UHFFFAOYSA-N
XLogP3.07
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile (CID 791078) is 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile is CCc1c(C)nc(N)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile?
The InChIKey is UGQOIACTGXEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-12-10(2)18-15(17)13(9-16)14(12)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile?
2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-6-methyl-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 791078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).