2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C19H20N4O2 — CID 169393789

IUPAC2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCCCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1C
InChIInChI=1S/C19H20N4O2/c1-3-4-5-8-25-16-9-13(7-6-12(16)2)17-14(10-20)18(22)23-19(24)15(17)11-21/h6-7,9H,3-5,8H2,1-2H3,(H3,22,23,24)
InChIKeyTUCZUIWSBYYCOQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.24
Rot. Bonds6

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

2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393789) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393789
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCCCCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1C
InChIInChI=1S/C19H20N4O2/c1-3-4-5-8-25-16-9-13(7-6-12(16)2)17-14(10-20)18(22)23-19(24)15(17)11-21/h6-7,9H,3-5,8H2,1-2H3,(H3,22,23,24)
InChIKeyTUCZUIWSBYYCOQ-UHFFFAOYSA-N
XLogP3.24
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-butoxy-3-chloro-5-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394552
2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393505
ethyl 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]propanoate
CID 169395170
2-amino-4-(2-butoxy-5-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393559
2-amino-6-oxo-4-(3-pentylsulfanylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393575
2-amino-4-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394421
2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394445
2-amino-4-(3-butylsulfanylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393562
2-amino-4-(3-ethoxy-5-iodo-4-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395101
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
2-amino-6-oxo-4-[4-(propoxymethyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393597
2-amino-4-(4-bromo-2-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394250

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393789) is 2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is CCCCCOc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1C.
What is the InChIKey of 2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is TUCZUIWSBYYCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-4-5-8-25-16-9-13(7-6-12(16)2)17-14(10-20)18(22)23-19(24)15(17)11-21/h6-7,9H,3-5,8H2,1-2H3,(H3,22,23,24).
What are the key properties of 2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 336.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).