2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile

C16H12N4O2 — CID 22707991

IUPAC2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile
SMILESCOc1ccncc1-c1cc(C#N)c(N)nc1-c1ccco1
InChIInChI=1S/C16H12N4O2/c1-21-13-4-5-19-9-12(13)11-7-10(8-17)16(18)20-15(11)14-3-2-6-22-14/h2-7,9H,1H3,(H2,18,20)
InChIKeyTXKRIPUJWAUEKY-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.87
Rot. Bonds3

About 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile

2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile (PubChem CID 22707991) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile
PubChem CID22707991
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile
SMILESCOc1ccncc1-c1cc(C#N)c(N)nc1-c1ccco1
InChIInChI=1S/C16H12N4O2/c1-21-13-4-5-19-9-12(13)11-7-10(8-17)16(18)20-15(11)14-3-2-6-22-14/h2-7,9H,1H3,(H2,18,20)
InChIKeyTXKRIPUJWAUEKY-UHFFFAOYSA-N
XLogP2.87
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile (CID 22707991) is 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile is COc1ccncc1-c1cc(C#N)c(N)nc1-c1ccco1.
What is the InChIKey of 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is TXKRIPUJWAUEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-21-13-4-5-19-9-12(13)11-7-10(8-17)16(18)20-15(11)14-3-2-6-22-14/h2-7,9H,1H3,(H2,18,20).
What are the key properties of 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile?
2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 292.30 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(furan-2-yl)-5-(4-methoxy-3-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 22707991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).