2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile

C22H15N3O4 — CID 164625158

IUPAC2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3c(O)c4ccccc4oc3=O)nc(N)c2C#N)c1
InChIInChI=1S/C22H15N3O4/c1-28-13-6-4-5-12(9-13)15-10-17(25-21(24)16(15)11-23)19-20(26)14-7-2-3-8-18(14)29-22(19)27/h2-10,26H,1H3,(H2,24,25)
InChIKeyZHSQXZZMKDUQLK-UHFFFAOYSA-N
MW385.38 g/mol
LogP3.69
Rot. Bonds3

About 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 164625158) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID164625158
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3c(O)c4ccccc4oc3=O)nc(N)c2C#N)c1
InChIInChI=1S/C22H15N3O4/c1-28-13-6-4-5-12(9-13)15-10-17(25-21(24)16(15)11-23)19-20(26)14-7-2-3-8-18(14)29-22(19)27/h2-10,26H,1H3,(H2,24,25)
InChIKeyZHSQXZZMKDUQLK-UHFFFAOYSA-N
XLogP3.69
TPSA122.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile
CID 139218406
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-6-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 4636256
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 73349311
2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5120091
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088737
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-4-[4-(3-methoxyphenyl)phenyl]-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 142491894
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
4-(3-methoxyphenyl)chromen-2-one
CID 10538749

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile (CID 164625158) is 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3c(O)c4ccccc4oc3=O)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is ZHSQXZZMKDUQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4/c1-28-13-6-4-5-12(9-13)15-10-17(25-21(24)16(15)11-23)19-20(26)14-7-2-3-8-18(14)29-22(19)27/h2-10,26H,1H3,(H2,24,25).
What are the key properties of 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 385.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 164625158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).