2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide

C27H30N4O5 — CID 11123811

IUPAC2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCOc1cc(-c2cc(CC(=O)Nc3cc(C(C)C)c(O)cc3C)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C27H30N4O5/c1-14(2)18-12-21(15(3)7-22(18)32)31-25(33)11-17-10-19(20(13-28)27(29)30-17)16-8-23(34-4)26(36-6)24(9-16)35-5/h7-10,12,14,32H,11H2,1-6H3,(H2,29,30)(H,31,33)
InChIKeyMYZQBJHOIQNYMJ-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.55
Rot. Bonds8

About 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide

2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide (PubChem CID 11123811) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
PubChem CID11123811
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCOc1cc(-c2cc(CC(=O)Nc3cc(C(C)C)c(O)cc3C)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C27H30N4O5/c1-14(2)18-12-21(15(3)7-22(18)32)31-25(33)11-17-10-19(20(13-28)27(29)30-17)16-8-23(34-4)26(36-6)24(9-16)35-5/h7-10,12,14,32H,11H2,1-6H3,(H2,29,30)(H,31,33)
InChIKeyMYZQBJHOIQNYMJ-UHFFFAOYSA-N
XLogP4.55
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
2,6-di(propan-2-yl)-4-(3,4,5-trimethoxyphenyl)benzonitrile
CID 122220607
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide
CID 115167626
N-(4,5-dimethoxy-2-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7751153
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-6-(4-butoxy-2-hydroxy-5-nitrophenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 135488028
2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 46497838
2-[[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 4693909
2-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(3,4-dimethylphenyl)propanamide
CID 23886622
methyl 4-[6-amino-5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-pyridinyl]-5-methylfuran-2-carboxylate
CID 56863797

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide (CID 11123811) is 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide is COc1cc(-c2cc(CC(=O)Nc3cc(C(C)C)c(O)cc3C)nc(N)c2C#N)cc(OC)c1OC.
What is the InChIKey of 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The InChIKey is MYZQBJHOIQNYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-14(2)18-12-21(15(3)7-22(18)32)31-25(33)11-17-10-19(20(13-28)27(29)30-17)16-8-23(34-4)26(36-6)24(9-16)35-5/h7-10,12,14,32H,11H2,1-6H3,(H2,29,30)(H,31,33).
What are the key properties of 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide has a molecular weight of 490.56 g/mol, XLogP of 4.55, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 11123811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).