(8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C30H25N3O3 — CID 139232728

IUPAC(8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc(/C=C2\COCc3c2nc(Nc2ccccc2)c(C#N)c3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H25N3O3/c1-34-24-12-8-20(9-13-24)16-22-18-36-19-27-28(21-10-14-25(35-2)15-11-21)26(17-31)30(33-29(22)27)32-23-6-4-3-5-7-23/h3-16H,18-19H2,1-2H3,(H,32,33)/b22-16+
InChIKeyYAOQSHHJOLRARH-CJLVFECKSA-N
MW475.55 g/mol
LogP6.45
Rot. Bonds6

About (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile

(8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 139232728) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID139232728
Molecular FormulaC30H25N3O3
Molecular Weight475.55 g/mol
Exact Mass475.19
IUPAC Name(8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc(/C=C2\COCc3c2nc(Nc2ccccc2)c(C#N)c3-c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H25N3O3/c1-34-24-12-8-20(9-13-24)16-22-18-36-19-27-28(21-10-14-25(35-2)15-11-21)26(17-31)30(33-29(22)27)32-23-6-4-3-5-7-23/h3-16H,18-19H2,1-2H3,(H,32,33)/b22-16+
InChIKeyYAOQSHHJOLRARH-CJLVFECKSA-N
XLogP6.45
TPSA76.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 139232728) is (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile is COc1ccc(/C=C2\COCc3c2nc(Nc2ccccc2)c(C#N)c3-c2ccc(OC)cc2)cc1.
What is the InChIKey of (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is YAOQSHHJOLRARH-CJLVFECKSA-N. The full InChI is InChI=1S/C30H25N3O3/c1-34-24-12-8-20(9-13-24)16-22-18-36-19-27-28(21-10-14-25(35-2)15-11-21)26(17-31)30(33-29(22)27)32-23-6-4-3-5-7-23/h3-16H,18-19H2,1-2H3,(H,32,33)/b22-16+.
What are the key properties of (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
(8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 475.55 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-2-anilino-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 139232728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).