2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile

C19H18N4O2 — CID 169394564

IUPAC2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile
SMILESC=CCc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OC(C)C
InChIInChI=1S/C19H18N4O2/c1-4-5-12-8-13(6-7-16(12)25-11(2)3)17-14(9-20)18(22)23-19(24)15(17)10-21/h4,6-8,11H,1,5H2,2-3H3,(H3,22,23,24)
InChIKeyZBFMBLUFEQSPAT-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.88
Rot. Bonds5

About 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile

2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394564) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394564
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile
SMILESC=CCc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OC(C)C
InChIInChI=1S/C19H18N4O2/c1-4-5-12-8-13(6-7-16(12)25-11(2)3)17-14(9-20)18(22)23-19(24)15(17)10-21/h4,6-8,11H,1,5H2,2-3H3,(H3,22,23,24)
InChIKeyZBFMBLUFEQSPAT-UHFFFAOYSA-N
XLogP2.88
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393833
2-amino-4-(3,4-dimethoxy-5-prop-2-enylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394165
2-amino-4-(4-butan-2-yloxy-3-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394445
ethyl 2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-ethoxyphenoxy]propanoate
CID 169395170
2-amino-4-(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395097
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] propanoate
CID 169394799
2-amino-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393028
2-amino-4-(4-methyl-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393789
2-amino-4-[4-fluoro-3-(3-methylbutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393505
2-amino-4-(4-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393173
2-amino-4-(4-methoxy-3-phenylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395414
2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394058

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile (CID 169394564) is 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile is C=CCc1cc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)ccc1OC(C)C.
What is the InChIKey of 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is ZBFMBLUFEQSPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-4-5-12-8-13(6-7-16(12)25-11(2)3)17-14(9-20)18(22)23-19(24)15(17)10-21/h4,6-8,11H,1,5H2,2-3H3,(H3,22,23,24).
What are the key properties of 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile?
2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 334.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).