3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide

C19H12N2O3 — CID 2266147

IUPAC3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C19H12N2O3/c22-18(21-13-7-9-20-10-8-13)16-11-15-14-4-2-1-3-12(14)5-6-17(15)24-19(16)23/h1-11H,(H,20,21,22)
InChIKeyNKOZTLOTKACYIT-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.59
Rot. Bonds2

About 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide

3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide (PubChem CID 2266147) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
PubChem CID2266147
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
SMILESO=C(Nc1ccncc1)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C19H12N2O3/c22-18(21-13-7-9-20-10-8-13)16-11-15-14-4-2-1-3-12(14)5-6-17(15)24-19(16)23/h1-11H,(H,20,21,22)
InChIKeyNKOZTLOTKACYIT-UHFFFAOYSA-N
XLogP3.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
dimethyl 5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 6616120
N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 827865
3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154798
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 16917380
3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide
CID 3953765
3-oxo-N-(2-phenoxyphenyl)benzo[f]chromene-2-carboxamide
CID 19133047
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 43976714
6-methoxy-2-oxo-N-pyridin-4-ylchromene-3-carboxamide
CID 3786468

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide?
The IUPAC name of 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide (CID 2266147) is 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide.
What is the SMILES notation for 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide?
The canonical SMILES for 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide is O=C(Nc1ccncc1)c1cc2c(ccc3ccccc32)oc1=O.
What is the InChIKey of 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide?
The InChIKey is NKOZTLOTKACYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-18(21-13-7-9-20-10-8-13)16-11-15-14-4-2-1-3-12(14)5-6-17(15)24-19(16)23/h1-11H,(H,20,21,22).
What are the key properties of 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide?
3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 2266147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).