2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile

C13H13N3O — CID 882944

IUPAC2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccco2)c1C
InChIInChI=1S/C13H13N3O/c1-3-10-8(2)12(11-5-4-6-17-11)9(7-14)13(15)16-10/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyMUYKTJQTZWEPFP-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.67
Rot. Bonds2

About 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile

2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile (PubChem CID 882944) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
PubChem CID882944
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
SMILESCCc1nc(N)c(C#N)c(-c2ccco2)c1C
InChIInChI=1S/C13H13N3O/c1-3-10-8(2)12(11-5-4-6-17-11)9(7-14)13(15)16-10/h4-6H,3H2,1-2H3,(H2,15,16)
InChIKeyMUYKTJQTZWEPFP-UHFFFAOYSA-N
XLogP2.67
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile (CID 882944) is 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile is CCc1nc(N)c(C#N)c(-c2ccco2)c1C.
What is the InChIKey of 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
The InChIKey is MUYKTJQTZWEPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-3-10-8(2)12(11-5-4-6-17-11)9(7-14)13(15)16-10/h4-6H,3H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 882944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).