2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C22H18N4O3 — CID 169394366

IUPAC2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1OCc1cccc(C)c1
InChIInChI=1S/C22H18N4O3/c1-13-5-3-6-14(9-13)12-29-20-15(7-4-8-18(20)28-2)19-16(10-23)21(25)26-22(27)17(19)11-24/h3-9H,12H2,1-2H3,(H3,25,26,27)
InChIKeyDHZDXLNESGNOHW-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.26
Rot. Bonds5

About 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394366) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394366
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1OCc1cccc(C)c1
InChIInChI=1S/C22H18N4O3/c1-13-5-3-6-14(9-13)12-29-20-15(7-4-8-18(20)28-2)19-16(10-23)21(25)26-22(27)17(19)11-24/h3-9H,12H2,1-2H3,(H3,25,26,27)
InChIKeyDHZDXLNESGNOHW-UHFFFAOYSA-N
XLogP3.26
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394013
2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393480
2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394361
2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394695
2-amino-4-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395098
2-amino-4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394423
2-amino-4-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394393
2-amino-4-(2-methyl-4-phenylmethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393316
2-amino-6-oxo-4-[2-(4-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169394120
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
4-[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168590024

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394366) is 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1OCc1cccc(C)c1.
What is the InChIKey of 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is DHZDXLNESGNOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-13-5-3-6-14(9-13)12-29-20-15(7-4-8-18(20)28-2)19-16(10-23)21(25)26-22(27)17(19)11-24/h3-9H,12H2,1-2H3,(H3,25,26,27).
What are the key properties of 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 386.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).