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

C20H11Cl2FN4O2 — CID 169394376

IUPAC2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C20H11Cl2FN4O2/c21-11-2-4-17(29-9-10-1-3-12(23)6-16(10)22)13(5-11)18-14(7-24)19(26)27-20(28)15(18)8-25/h1-6H,9H2,(H3,26,27,28)
InChIKeyRHCKRYNCLIVNFM-UHFFFAOYSA-N
MW429.24 g/mol
LogP4.39
Rot. Bonds4

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

2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394376) has the molecular formula C20H11Cl2FN4O2 and a molecular weight of 429.24 g/mol. Its IUPAC name is 2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394376
Molecular FormulaC20H11Cl2FN4O2
Molecular Weight429.24 g/mol
Exact Mass428.02
IUPAC Name2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc(Cl)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C20H11Cl2FN4O2/c21-11-2-4-17(29-9-10-1-3-12(23)6-16(10)22)13(5-11)18-14(7-24)19(26)27-20(28)15(18)8-25/h1-6H,9H2,(H3,26,27,28)
InChIKeyRHCKRYNCLIVNFM-UHFFFAOYSA-N
XLogP4.39
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.24
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393757
2-amino-4-(2-butoxy-5-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393559
2-amino-4-[5-chloro-2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394382
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid
CID 169394440
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393760
2-amino-6-oxo-4-[2-[(2,3,4-trifluorophenoxy)methyl]phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393715
2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393716
2-amino-4-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394423
2-amino-4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393626
2-amino-4-[4-[(3-chlorophenyl)methoxy]-3-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393728
2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405705

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394376) is 2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc(Cl)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of 2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is RHCKRYNCLIVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2FN4O2/c21-11-2-4-17(29-9-10-1-3-12(23)6-16(10)22)13(5-11)18-14(7-24)19(26)27-20(28)15(18)8-25/h1-6H,9H2,(H3,26,27,28).
What are the key properties of 2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 429.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).