N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide

C17H12N2O4 — CID 108740106

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide
SMILESCc1oc(NC(=O)c2cc3ccccc3oc2=O)c(C#N)c1C
InChIInChI=1S/C17H12N2O4/c1-9-10(2)22-16(13(9)8-18)19-15(20)12-7-11-5-3-4-6-14(11)23-17(12)21/h3-7H,1-2H3,(H,19,20)
InChIKeyXBAIKLZHNPYEGO-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.13
Rot. Bonds2

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide (PubChem CID 108740106) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide
PubChem CID108740106
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide
SMILESCc1oc(NC(=O)c2cc3ccccc3oc2=O)c(C#N)c1C
InChIInChI=1S/C17H12N2O4/c1-9-10(2)22-16(13(9)8-18)19-15(20)12-7-11-5-3-4-6-14(11)23-17(12)21/h3-7H,1-2H3,(H,19,20)
InChIKeyXBAIKLZHNPYEGO-UHFFFAOYSA-N
XLogP3.13
TPSA96.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-iodobenzamide
CID 108762743
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide
CID 110473786
N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
CID 108762728
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
N-(2,6-difluorophenyl)-2-oxochromene-3-carboxamide
CID 42618006
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 82330981
methyl 3-[(3-cyano-4,5-dimethylfuran-2-yl)carbamoyl]benzoate
CID 108740250
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
N-[cyano-(4-methylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 110664192

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide (CID 108740106) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide is Cc1oc(NC(=O)c2cc3ccccc3oc2=O)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide?
The InChIKey is XBAIKLZHNPYEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c1-9-10(2)22-16(13(9)8-18)19-15(20)12-7-11-5-3-4-6-14(11)23-17(12)21/h3-7H,1-2H3,(H,19,20).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide has a molecular weight of 308.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 108740106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).