2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C16H12F2N4O2 — CID 169393520

IUPAC2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCCOc1c(F)cc(F)cc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C16H12F2N4O2/c1-2-3-24-14-9(4-8(17)5-12(14)18)13-10(6-19)15(21)22-16(23)11(13)7-20/h4-5H,2-3H2,1H3,(H3,21,22,23)
InChIKeyPBCLWPOXKQSBAL-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393520) has the molecular formula C16H12F2N4O2 and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393520
Molecular FormulaC16H12F2N4O2
Molecular Weight330.29 g/mol
Exact Mass330.09
IUPAC Name2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCCOc1c(F)cc(F)cc1-c1c(C#N)c(N)[nH]c(=O)c1C#N
InChIInChI=1S/C16H12F2N4O2/c1-2-3-24-14-9(4-8(17)5-12(14)18)13-10(6-19)15(21)22-16(23)11(13)7-20/h4-5H,2-3H2,1H3,(H3,21,22,23)
InChIKeyPBCLWPOXKQSBAL-UHFFFAOYSA-N
XLogP2.43
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(3-methoxy-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393480
2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394250
2-amino-4-(3-ethoxy-5-iodo-4-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395101
2-amino-4-(2-butoxy-5-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393559
4-(3,5-difluoro-2-pentoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168588066
2-amino-4-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393760
2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395066
2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394274
2-amino-4-[5-(bromomethyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395815
2-amino-4-(4-butoxy-3-chloro-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394552
2-amino-4-[5-chloro-2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394382
2-amino-4-[2,4-difluoro-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395774

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393520) is 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is CCCOc1c(F)cc(F)cc1-c1c(C#N)c(N)[nH]c(=O)c1C#N.
What is the InChIKey of 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is PBCLWPOXKQSBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O2/c1-2-3-24-14-9(4-8(17)5-12(14)18)13-10(6-19)15(21)22-16(23)11(13)7-20/h4-5H,2-3H2,1H3,(H3,21,22,23).
What are the key properties of 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 330.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,5-difluoro-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).