2-amino-5-ethyl-4-methylpyridine-3-carbonitrile

C9H11N3 — CID 19707203

IUPAC2-amino-5-ethyl-4-methylpyridine-3-carbonitrile
SMILESCCc1cnc(N)c(C#N)c1C
InChIInChI=1S/C9H11N3/c1-3-7-5-12-9(11)8(4-10)6(7)2/h5H,3H2,1-2H3,(H2,11,12)
InChIKeyOWHDFRHTKXOOCT-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.41
Rot. Bonds1

About 2-amino-5-ethyl-4-methylpyridine-3-carbonitrile

2-amino-5-ethyl-4-methylpyridine-3-carbonitrile (PubChem CID 19707203) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-methylpyridine-3-carbonitrile
PubChem CID19707203
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-amino-5-ethyl-4-methylpyridine-3-carbonitrile
SMILESCCc1cnc(N)c(C#N)c1C
InChIInChI=1S/C9H11N3/c1-3-7-5-12-9(11)8(4-10)6(7)2/h5H,3H2,1-2H3,(H2,11,12)
InChIKeyOWHDFRHTKXOOCT-UHFFFAOYSA-N
XLogP1.41
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.41
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-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-methylpyridine-3-carbonitrile (CID 19707203) is 2-amino-5-ethyl-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-methylpyridine-3-carbonitrile is CCc1cnc(N)c(C#N)c1C.
What is the InChIKey of 2-amino-5-ethyl-4-methylpyridine-3-carbonitrile?
The InChIKey is OWHDFRHTKXOOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-7-5-12-9(11)8(4-10)6(7)2/h5H,3H2,1-2H3,(H2,11,12).
What are the key properties of 2-amino-5-ethyl-4-methylpyridine-3-carbonitrile?
2-amino-5-ethyl-4-methylpyridine-3-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 19707203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).