N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide

C18H16N2O4 — CID 172659008

IUPACN-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCn3ccccc3=O)ccc12
InChIInChI=1S/C18H16N2O4/c1-12-10-18(23)24-15-11-13(5-6-14(12)15)19-16(21)7-9-20-8-3-2-4-17(20)22/h2-6,8,10-11H,7,9H2,1H3,(H,19,21)
InChIKeyCRAJUWVSVGEESC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.29
Rot. Bonds4

About N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide

N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 172659008) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID172659008
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCn3ccccc3=O)ccc12
InChIInChI=1S/C18H16N2O4/c1-12-10-18(23)24-15-11-13(5-6-14(12)15)19-16(21)7-9-20-8-3-2-4-17(20)22/h2-6,8,10-11H,7,9H2,1H3,(H,19,21)
InChIKeyCRAJUWVSVGEESC-UHFFFAOYSA-N
XLogP2.29
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.29
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-chloro-4-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979400
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 19166972
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate
CID 87006402
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098
N-(4-methyl-2-oxochromen-7-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 17488318
N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979438

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide (CID 172659008) is N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide is Cc1cc(=O)oc2cc(NC(=O)CCn3ccccc3=O)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is CRAJUWVSVGEESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12-10-18(23)24-15-11-13(5-6-14(12)15)19-16(21)7-9-20-8-3-2-4-17(20)22/h2-6,8,10-11H,7,9H2,1H3,(H,19,21).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 324.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 172659008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).