2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide

C24H20N2O4 — CID 138490882

IUPAC2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide
SMILESCc1ccccc1-c1cc(=O)oc2cc(OC(C)C(=O)Nc3ccccn3)ccc12
InChIInChI=1S/C24H20N2O4/c1-15-7-3-4-8-18(15)20-14-23(27)30-21-13-17(10-11-19(20)21)29-16(2)24(28)26-22-9-5-6-12-25-22/h3-14,16H,1-2H3,(H,25,26,28)
InChIKeyMFJSXXFPIOSFHW-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.57
Rot. Bonds5

About 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide

2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide (PubChem CID 138490882) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide
PubChem CID138490882
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide
SMILESCc1ccccc1-c1cc(=O)oc2cc(OC(C)C(=O)Nc3ccccn3)ccc12
InChIInChI=1S/C24H20N2O4/c1-15-7-3-4-8-18(15)20-14-23(27)30-21-13-17(10-11-19(20)21)29-16(2)24(28)26-22-9-5-6-12-25-22/h3-14,16H,1-2H3,(H,25,26,28)
InChIKeyMFJSXXFPIOSFHW-UHFFFAOYSA-N
XLogP4.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.57
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

4-(2-methylphenyl)-7-propan-2-yloxychromen-2-one
CID 167497973
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070060
7-(1-methoxypropan-2-yloxy)-4-(2-methylphenyl)chromen-2-one
CID 167497899
2-(3-methylphenoxy)-N-pyridin-2-ylpropanamide
CID 78802552
2-[4-(4-methoxyphenyl)-2-oxochromen-7-yl]oxy-N-(pyridin-2-ylmethyl)propanamide
CID 4967046
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(2-propan-2-ylphenyl)propanamide
CID 19191726
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 51193962
(2S)-2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1178043
(2R)-3-methyl-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 75490946
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-(2-methylphenyl)ethyl]propanamide
CID 75413910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide (CID 138490882) is 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide is Cc1ccccc1-c1cc(=O)oc2cc(OC(C)C(=O)Nc3ccccn3)ccc12.
What is the InChIKey of 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide?
The InChIKey is MFJSXXFPIOSFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15-7-3-4-8-18(15)20-14-23(27)30-21-13-17(10-11-19(20)21)29-16(2)24(28)26-22-9-5-6-12-25-22/h3-14,16H,1-2H3,(H,25,26,28).
What are the key properties of 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide?
2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide has a molecular weight of 400.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxy-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 138490882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).