3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide

C19H18N2O4 — CID 51297554

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3ccncc3)c(=O)oc2c1
InChIInChI=1S/C19H18N2O4/c1-12-15-4-3-14(24-2)11-17(15)25-19(23)16(12)5-6-18(22)21-13-7-9-20-10-8-13/h3-4,7-11H,5-6H2,1-2H3,(H,20,21,22)
InChIKeyQAKQFQXHJWMXJQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.08
Rot. Bonds5

About 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide (PubChem CID 51297554) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
PubChem CID51297554
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide
SMILESCOc1ccc2c(C)c(CCC(=O)Nc3ccncc3)c(=O)oc2c1
InChIInChI=1S/C19H18N2O4/c1-12-15-4-3-14(24-2)11-17(15)25-19(23)16(12)5-6-18(22)21-13-7-9-20-10-8-13/h3-4,7-11H,5-6H2,1-2H3,(H,20,21,22)
InChIKeyQAKQFQXHJWMXJQ-UHFFFAOYSA-N
XLogP3.08
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.08
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

dimethyl 5-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 46650496
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 51272048
N-(3-cyanophenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51271966
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 34464629
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16604979
N-(2,4-dimethylphenyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 51272005
N-[3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-4-methylphenyl]-2-methylpropanamide
CID 55708300
N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide
CID 55462019
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 46478105
3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783619
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 24535149
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556066

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide (CID 51297554) is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide is COc1ccc2c(C)c(CCC(=O)Nc3ccncc3)c(=O)oc2c1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide?
The InChIKey is QAKQFQXHJWMXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-15-4-3-14(24-2)11-17(15)25-19(23)16(12)5-6-18(22)21-13-7-9-20-10-8-13/h3-4,7-11H,5-6H2,1-2H3,(H,20,21,22).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide?
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide has a molecular weight of 338.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 51297554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).