4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile

C28H18N4O4 — CID 14950543

IUPAC4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(-c2ccco2)cc(-c2ccc(-c3cc(-c4ccco4)nc(OC)c3C#N)cc2)c1C#N
InChIInChI=1S/C28H18N4O4/c1-33-27-21(15-29)19(13-23(31-27)25-5-3-11-35-25)17-7-9-18(10-8-17)20-14-24(26-6-4-12-36-26)32-28(34-2)22(20)16-30/h3-14H,1-2H3
InChIKeyQBFUAJOCCVXMHY-UHFFFAOYSA-N
MW474.48 g/mol
LogP6.09
Rot. Bonds6

About 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile

4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile (PubChem CID 14950543) has the molecular formula C28H18N4O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
PubChem CID14950543
Molecular FormulaC28H18N4O4
Molecular Weight474.48 g/mol
Exact Mass474.13
IUPAC Name4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(-c2ccco2)cc(-c2ccc(-c3cc(-c4ccco4)nc(OC)c3C#N)cc2)c1C#N
InChIInChI=1S/C28H18N4O4/c1-33-27-21(15-29)19(13-23(31-27)25-5-3-11-35-25)17-7-9-18(10-8-17)20-14-24(26-6-4-12-36-26)32-28(34-2)22(20)16-30/h3-14H,1-2H3
InChIKeyQBFUAJOCCVXMHY-UHFFFAOYSA-N
XLogP6.09
TPSA118.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile (CID 14950543) is 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile is COc1nc(-c2ccco2)cc(-c2ccc(-c3cc(-c4ccco4)nc(OC)c3C#N)cc2)c1C#N.
What is the InChIKey of 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile?
The InChIKey is QBFUAJOCCVXMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O4/c1-33-27-21(15-29)19(13-23(31-27)25-5-3-11-35-25)17-7-9-18(10-8-17)20-14-24(26-6-4-12-36-26)32-28(34-2)22(20)16-30/h3-14H,1-2H3.
What are the key properties of 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile?
4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile has a molecular weight of 474.48 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-cyano-6-(furan-2-yl)-2-methoxy-4-pyridinyl]phenyl]-6-(furan-2-yl)-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 14950543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).