methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate

C26H20N2O4 — CID 10693609

IUPACmethyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate
SMILESCOC(=O)c1cc(-c2cc(-c3ccc(OC)cc3)nc(OC)c2C#N)c2cccccc1-2
InChIInChI=1S/C26H20N2O4/c1-30-17-11-9-16(10-12-17)24-14-21(23(15-27)25(28-24)31-2)20-13-22(26(29)32-3)19-8-6-4-5-7-18(19)20/h4-14H,1-3H3
InChIKeyXGANZVGGQGIJDH-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.20
Rot. Bonds5

About methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate

methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate (PubChem CID 10693609) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate
PubChem CID10693609
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Namemethyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate
SMILESCOC(=O)c1cc(-c2cc(-c3ccc(OC)cc3)nc(OC)c2C#N)c2cccccc1-2
InChIInChI=1S/C26H20N2O4/c1-30-17-11-9-16(10-12-17)24-14-21(23(15-27)25(28-24)31-2)20-13-22(26(29)32-3)19-8-6-4-5-7-18(19)20/h4-14H,1-3H3
InChIKeyXGANZVGGQGIJDH-UHFFFAOYSA-N
XLogP5.20
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-hydroxyphenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 135692578
N-[4-(5-cyano-6-methoxy-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 70924863
2-methoxy-4-naphthalen-1-yl-6-phenylpyridine-3-carbonitrile
CID 14066095
N-[4-(4-amino-5-cyano-6-methoxy-2-pyridinyl)phenyl]acetamide
CID 70924991
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
6-azulen-1-yl-2-methoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 10641600
6-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-2-methoxy-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 137178260
2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
CID 3360693
2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-phenylpropanamide
CID 3165299
2-[[4-[[3-cyano-6-(4-methoxyphenyl)-4-phenyl-2-pyridinyl]sulfanylmethyl]phenyl]methylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 3165607
3-[2-(4-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887239
methyl 5-methoxy-2-(2-methoxyphenyl)benzoate
CID 11844441

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate?
The IUPAC name of methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate (CID 10693609) is methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate.
What is the SMILES notation for methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate?
The canonical SMILES for methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate is COC(=O)c1cc(-c2cc(-c3ccc(OC)cc3)nc(OC)c2C#N)c2cccccc1-2.
What is the InChIKey of methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate?
The InChIKey is XGANZVGGQGIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-30-17-11-9-16(10-12-17)24-14-21(23(15-27)25(28-24)31-2)20-13-22(26(29)32-3)19-8-6-4-5-7-18(19)20/h4-14H,1-3H3.
What are the key properties of methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate?
methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate has a molecular weight of 424.46 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-cyano-2-methoxy-6-(4-methoxyphenyl)-4-pyridinyl]azulene-1-carboxylate is sourced from PubChem (CID 10693609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).