3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide

C13H20N2O4 — CID 69051635

IUPAC3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide
SMILESCC(CC(N)=O)CC(=O)N1CCCC2OCC(=O)C21
InChIInChI=1S/C13H20N2O4/c1-8(5-11(14)17)6-12(18)15-4-2-3-10-13(15)9(16)7-19-10/h8,10,13H,2-7H2,1H3,(H2,14,17)
InChIKeyDKRRUPUPMGRRQP-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.15
Rot. Bonds4

About 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide

3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide (PubChem CID 69051635) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide.

Molecular Properties

Compound Name3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide
PubChem CID69051635
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide
SMILESCC(CC(N)=O)CC(=O)N1CCCC2OCC(=O)C21
InChIInChI=1S/C13H20N2O4/c1-8(5-11(14)17)6-12(18)15-4-2-3-10-13(15)9(16)7-19-10/h8,10,13H,2-7H2,1H3,(H2,14,17)
InChIKeyDKRRUPUPMGRRQP-UHFFFAOYSA-N
XLogP-0.15
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]-2-phenylacetamide
CID 69049697
9H-fluoren-9-ylmethyl (3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridine-4-carboxylate
CID 141105402
3-bromo-N-[3-methyl-5-oxo-5-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentyl]benzamide
CID 69048033
2-(cyclohexylmethyl)-4-morpholin-4-yl-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)butane-1,4-dione
CID 69049826
(2R)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-2-(cyclohexylmethyl)-4-morpholin-4-ylbutane-1,4-dione
CID 59791703
4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one
CID 69374831
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-3-methylbutan-1-one
CID 81080546
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-3-methylbutan-1-one
CID 81086873
4-(2-amino-3-benzylsulfanylpropanoyl)-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-3-one
CID 69310349
N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]-4-(trifluoromethyl)benzamide
CID 69052038
(1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 68958377
4-(difluoromethoxy)-N-[4-methyl-1-oxo-1-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentan-2-yl]benzamide
CID 69052022

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide?
The IUPAC name of 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide (CID 69051635) is 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide.
What is the SMILES notation for 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide?
The canonical SMILES for 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide is CC(CC(N)=O)CC(=O)N1CCCC2OCC(=O)C21.
What is the InChIKey of 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide?
The InChIKey is DKRRUPUPMGRRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(5-11(14)17)6-12(18)15-4-2-3-10-13(15)9(16)7-19-10/h8,10,13H,2-7H2,1H3,(H2,14,17).
What are the key properties of 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide?
3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide has a molecular weight of 268.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-(3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl)pentanamide is sourced from PubChem (CID 69051635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).