2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C21H14ClFN4O3 — CID 169394361

IUPAC2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C21H14ClFN4O3/c1-29-17-7-2-4-11(18-12(8-24)20(26)27-21(28)13(18)9-25)19(17)30-10-14-15(22)5-3-6-16(14)23/h2-7H,10H2,1H3,(H3,26,27,28)
InChIKeyBGQHNAYQNKMAOZ-UHFFFAOYSA-N
MW424.82 g/mol
LogP3.75
Rot. Bonds5

About 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394361) has the molecular formula C21H14ClFN4O3 and a molecular weight of 424.82 g/mol. Its IUPAC name is 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394361
Molecular FormulaC21H14ClFN4O3
Molecular Weight424.82 g/mol
Exact Mass424.07
IUPAC Name2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C21H14ClFN4O3/c1-29-17-7-2-4-11(18-12(8-24)20(26)27-21(28)13(18)9-25)19(17)30-10-14-15(22)5-3-6-16(14)23/h2-7H,10H2,1H3,(H3,26,27,28)
InChIKeyBGQHNAYQNKMAOZ-UHFFFAOYSA-N
XLogP3.75
TPSA124.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.82
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

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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-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394366
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-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393757
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-4-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393867
2-amino-4-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395332
2-amino-4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394423
2-amino-4-[2-(3-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393888
2-amino-4-(3-fluoro-2-methylsulfonylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395877

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394361) is 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1cccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1OCc1c(F)cccc1Cl.
What is the InChIKey of 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is BGQHNAYQNKMAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O3/c1-29-17-7-2-4-11(18-12(8-24)20(26)27-21(28)13(18)9-25)19(17)30-10-14-15(22)5-3-6-16(14)23/h2-7H,10H2,1H3,(H3,26,27,28).
What are the key properties of 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 424.82 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).