6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile

C15H12N4O3 — CID 58284379

IUPAC6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C15H12N4O3/c1-18-13-12(11(8-16)15(21)19-14(13)17)9-2-4-10(5-3-9)22-7-6-20/h2-5,20H,6-7H2,(H3,17,19,21)
InChIKeyFOWRJLIHSQEJDT-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.42
Rot. Bonds4

About 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile

6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 58284379) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID58284379
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C15H12N4O3/c1-18-13-12(11(8-16)15(21)19-14(13)17)9-2-4-10(5-3-9)22-7-6-20/h2-5,20H,6-7H2,(H3,17,19,21)
InChIKeyFOWRJLIHSQEJDT-UHFFFAOYSA-N
XLogP1.42
TPSA116.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-oxo-4-(4-prop-2-ynoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393291
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
2-amino-4-[4-(2-hydroxyethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394289
2-amino-6-oxo-4-[2-(4-phenylmethoxyphenyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169394120
2-amino-4-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394698
6-amino-4-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]-5-isocyano-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 58115944
6-amino-4-[4-[(1S,2S)-2-hydroxycyclopentyl]oxyphenyl]-5-isocyano-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 58115904
2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393713
6-amino-5-isocyano-4-[4-(oxetan-3-yloxy)phenyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 176762758
2-amino-4-[4-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394954
4-[4-(2-hydroxyethoxy)phenyl]-6-(2-hydroxyethylamino)-5-isocyano-2-phenylsulfanylpyridine-3-carbonitrile
CID 59201979
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenyl] 4-methylbenzoate
CID 169394787

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile (CID 58284379) is 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile is [C-]#[N+]c1c(N)[nH]c(=O)c(C#N)c1-c1ccc(OCCO)cc1.
What is the InChIKey of 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FOWRJLIHSQEJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-18-13-12(11(8-16)15(21)19-14(13)17)9-2-4-10(5-3-9)22-7-6-20/h2-5,20H,6-7H2,(H3,17,19,21).
What are the key properties of 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile?
6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 296.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 58284379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).