2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide

C16H13N3O4 — CID 4986523

IUPAC2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1ccc2oc(=NO)c(C(=O)Nc3ccccn3)cc2c1
InChIInChI=1S/C16H13N3O4/c1-22-11-5-6-13-10(8-11)9-12(16(19-21)23-13)15(20)18-14-4-2-3-7-17-14/h2-9,21H,1H3,(H,17,18,20)
InChIKeyHMBUMOXLDNTTDM-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.38
Rot. Bonds3

About 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide

2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 4986523) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide
PubChem CID4986523
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1ccc2oc(=NO)c(C(=O)Nc3ccccn3)cc2c1
InChIInChI=1S/C16H13N3O4/c1-22-11-5-6-13-10(8-11)9-12(16(19-21)23-13)15(20)18-14-4-2-3-7-17-14/h2-9,21H,1H3,(H,17,18,20)
InChIKeyHMBUMOXLDNTTDM-UHFFFAOYSA-N
XLogP2.38
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 51367720
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
2-(2-fluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367722
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367429
2,5-dimethyl-N-pyridin-2-ylfuran-3-carboxamide
CID 35034898
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
6-bromo-2-(2-fluoro-4-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367462
2-(2,5-difluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367726
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The IUPAC name of 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide (CID 4986523) is 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The canonical SMILES for 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide is COc1ccc2oc(=NO)c(C(=O)Nc3ccccn3)cc2c1.
What is the InChIKey of 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The InChIKey is HMBUMOXLDNTTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-22-11-5-6-13-10(8-11)9-12(16(19-21)23-13)15(20)18-14-4-2-3-7-17-14/h2-9,21H,1H3,(H,17,18,20).
What are the key properties of 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 4986523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).