2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid

C24H24N4O6 — CID 171339557

IUPAC2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid
SMILESCOc1ccc(-c2cc(-c3ccccc3OCC(N)=O)nc(N)c2C#N)c(OC)c1C.O=CO
InChIInChI=1S/C23H22N4O4.CH2O2/c1-13-19(29-2)9-8-14(22(13)30-3)16-10-18(27-23(26)17(16)11-24)15-6-4-5-7-20(15)31-12-21(25)28;2-1-3/h4-10H,12H2,1-3H3,(H2,25,28)(H2,26,27);1H,(H,2,3)
InChIKeyFODMZRGKWAZAHL-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid

2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid (PubChem CID 171339557) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid.

Molecular Properties

Compound Name2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid
PubChem CID171339557
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid
SMILESCOc1ccc(-c2cc(-c3ccccc3OCC(N)=O)nc(N)c2C#N)c(OC)c1C.O=CO
InChIInChI=1S/C23H22N4O4.CH2O2/c1-13-19(29-2)9-8-14(22(13)30-3)16-10-18(27-23(26)17(16)11-24)15-6-4-5-7-20(15)31-12-21(25)28;2-1-3/h4-10H,12H2,1-3H3,(H2,25,28)(H2,26,27);1H,(H,2,3)
InChIKeyFODMZRGKWAZAHL-UHFFFAOYSA-N
XLogP2.76
TPSA170.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5117892
2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 5117523
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2-[4-[2-amino-3-cyano-6-(4-methoxyphenyl)-5-methyl-4-pyridinyl]-2-chlorophenoxy]acetamide;formic acid
CID 171330678
2-amino-4-(1,3-thiazol-5-yl)-6-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile;formic acid
CID 171339703
2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3517156
N-[4-[2-amino-3-cyano-6-(2-methoxyphenyl)-4-pyridinyl]phenyl]acetamide
CID 5153682
2-amino-6-(2,4-dimethylphenyl)-4-(2-ethoxyphenyl)pyridine-3-carbonitrile
CID 3464758
2-amino-6-(3-methylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5230020
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid?
The IUPAC name of 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid (CID 171339557) is 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid.
What is the SMILES notation for 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid?
The canonical SMILES for 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid is COc1ccc(-c2cc(-c3ccccc3OCC(N)=O)nc(N)c2C#N)c(OC)c1C.O=CO.
What is the InChIKey of 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid?
The InChIKey is FODMZRGKWAZAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4.CH2O2/c1-13-19(29-2)9-8-14(22(13)30-3)16-10-18(27-23(26)17(16)11-24)15-6-4-5-7-20(15)31-12-21(25)28;2-1-3/h4-10H,12H2,1-3H3,(H2,25,28)(H2,26,27);1H,(H,2,3).
What are the key properties of 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid?
2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid has a molecular weight of 464.48 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-amino-5-cyano-4-(2,4-dimethoxy-3-methylphenyl)-2-pyridinyl]phenoxy]acetamide;formic acid is sourced from PubChem (CID 171339557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).