N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide

C20H14N2O3 — CID 827865

IUPACN-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C20H14N2O3/c1-12-5-4-10-21-18(12)22-19(23)16-11-15-14-7-3-2-6-13(14)8-9-17(15)25-20(16)24/h2-11H,1H3,(H,21,22,23)
InChIKeyIYIVIKSNJNRSQB-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.90
Rot. Bonds2

About N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide

N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide (PubChem CID 827865) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide
PubChem CID827865
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC NameN-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESCc1cccnc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C20H14N2O3/c1-12-5-4-10-21-18(12)22-19(23)16-11-15-14-7-3-2-6-13(14)8-9-17(15)25-20(16)24/h2-11H,1H3,(H,21,22,23)
InChIKeyIYIVIKSNJNRSQB-UHFFFAOYSA-N
XLogP3.90
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.90
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
3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
CID 2266147
N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154798
3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 43976714
dimethyl 5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 6616120
ethyl 3-methyl-5-[(3-oxobenzo[f]chromene-2-carbonyl)amino]thiophene-2-carboxylate
CID 7126145
N-(2,5-dichlorophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3692477
N-(4-nitrophenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3813171
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
2-(2,2-dimethylpropanoyl)benzo[f]chromen-3-one
CID 12060597

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide (CID 827865) is N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide is Cc1cccnc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide?
The InChIKey is IYIVIKSNJNRSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-12-5-4-10-21-18(12)22-19(23)16-11-15-14-7-3-2-6-13(14)8-9-17(15)25-20(16)24/h2-11H,1H3,(H,21,22,23).
What are the key properties of N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide?
N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-oxobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 827865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).