3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile

C12H12N4O — CID 82817603

IUPAC3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1nccc(C#N)c1N)c1ccco1
InChIInChI=1S/C12H12N4O/c1-8(10-3-2-6-17-10)16-12-11(14)9(7-13)4-5-15-12/h2-6,8H,14H2,1H3,(H,15,16)
InChIKeyKPZVZAUDYJHTLU-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.30
Rot. Bonds3

About 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile

3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile (PubChem CID 82817603) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile
PubChem CID82817603
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1nccc(C#N)c1N)c1ccco1
InChIInChI=1S/C12H12N4O/c1-8(10-3-2-6-17-10)16-12-11(14)9(7-13)4-5-15-12/h2-6,8H,14H2,1H3,(H,15,16)
InChIKeyKPZVZAUDYJHTLU-UHFFFAOYSA-N
XLogP2.30
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile (CID 82817603) is 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile is CC(Nc1nccc(C#N)c1N)c1ccco1.
What is the InChIKey of 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is KPZVZAUDYJHTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8(10-3-2-6-17-10)16-12-11(14)9(7-13)4-5-15-12/h2-6,8H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile?
3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82817603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).