1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide

C17H11N3O3 — CID 135458626

IUPAC1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide
SMILESCOc1ccc(/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cn1
InChIInChI=1S/C17H11N3O3/c1-23-14-7-6-10(9-19-14)20-13(8-18)15-16(21)11-4-2-3-5-12(11)17(15)22/h2-7,9,21H,1H3/b20-13+
InChIKeySAOVPHHMFQJGNO-DEDYPNTBSA-N
MW305.29 g/mol
LogP2.85
Rot. Bonds3

About 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide

1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide (PubChem CID 135458626) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide.

Molecular Properties

Compound Name1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide
PubChem CID135458626
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide
SMILESCOc1ccc(/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cn1
InChIInChI=1S/C17H11N3O3/c1-23-14-7-6-10(9-19-14)20-13(8-18)15-16(21)11-4-2-3-5-12(11)17(15)22/h2-7,9,21H,1H3/b20-13+
InChIKeySAOVPHHMFQJGNO-DEDYPNTBSA-N
XLogP2.85
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-N-[(4-methoxyphenyl)methyl]-3-oxoindene-2-carboximidoyl cyanide
CID 135418989
1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide
CID 135507069
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-3-oxoindene-2-carboximidoyl cyanide
CID 135519558
(2Z)-1-hydroxy-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxoindene-2-carboximidoyl cyanide
CID 135710061
2-(C,N-diphenylcarbonimidoyl)-3-hydroxyinden-1-one
CID 135687056
2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol
CID 136991166
2-[N-[4-(dimethylamino)phenyl]-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135401657
3-hydroxy-2-[C-methyl-N-(1H-1,2,4-triazol-5-yl)carbonimidoyl]inden-1-one
CID 135498207
6-(6-methoxy-3-pyridinyl)pyridin-3-ol
CID 83128352
2-[N-(4-chloro-2,5-dimethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135438310
3-hydroxy-2-[C-methyl-N-[3-(trifluoromethyl)phenyl]carbonimidoyl]inden-1-one
CID 135442008
1-(6-methoxy-3-pyridinyl)-3-(1-phenylethyl)urea
CID 47139416

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide?
The IUPAC name of 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide (CID 135458626) is 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide.
What is the SMILES notation for 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide?
The canonical SMILES for 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide is COc1ccc(/N=C(\C#N)C2=C(O)c3ccccc3C2=O)cn1.
What is the InChIKey of 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide?
The InChIKey is SAOVPHHMFQJGNO-DEDYPNTBSA-N. The full InChI is InChI=1S/C17H11N3O3/c1-23-14-7-6-10(9-19-14)20-13(8-18)15-16(21)11-4-2-3-5-12(11)17(15)22/h2-7,9,21H,1H3/b20-13+.
What are the key properties of 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide?
1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide has a molecular weight of 305.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(6-methoxy-3-pyridinyl)-3-oxoindene-2-carboximidoyl cyanide is sourced from PubChem (CID 135458626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).