1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide

C21H23N3O5 — CID 172669827

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCCC1=NOC(CNC(=O)c2c(C)ccn(Cc3ccc4c(c3)OCO4)c2=O)C1
InChIInChI=1S/C21H23N3O5/c1-3-15-9-16(29-23-15)10-22-20(25)19-13(2)6-7-24(21(19)26)11-14-4-5-17-18(8-14)28-12-27-17/h4-8,16H,3,9-12H2,1-2H3,(H,22,25)
InChIKeyGEYTVDUVSFBXRY-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.22
Rot. Bonds6

About 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide

1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172669827) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172669827
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
SMILESCCC1=NOC(CNC(=O)c2c(C)ccn(Cc3ccc4c(c3)OCO4)c2=O)C1
InChIInChI=1S/C21H23N3O5/c1-3-15-9-16(29-23-15)10-22-20(25)19-13(2)6-7-24(21(19)26)11-14-4-5-17-18(8-14)28-12-27-17/h4-8,16H,3,9-12H2,1-2H3,(H,22,25)
InChIKeyGEYTVDUVSFBXRY-UHFFFAOYSA-N
XLogP2.22
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-N-(2-hydroxy-2-phenylethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172670823
1-(1,3-benzodioxol-5-ylmethyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172666726
1-(1,3-benzodioxol-5-ylmethyl)-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172663231
1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-oxopyridine-3-carboxamide
CID 172662261
1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172659064
2-[1-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxopyridine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 172657758
1-(1,3-benzodioxol-5-ylmethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172655358
1-(1,3-benzodioxol-5-ylmethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172664857
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxamide
CID 172670662
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R,5R,6S,7S)-6-(hydroxymethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carbonyl]-4-methylpyridin-2-one
CID 172655665
1-(1,3-benzodioxol-5-ylmethyl)pyrrole-2-carbohydrazide
CID 24711856
1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-chlorophenyl)methyl]pyrazine-2,3-dione
CID 95917617

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide (CID 172669827) is 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide is CCC1=NOC(CNC(=O)c2c(C)ccn(Cc3ccc4c(c3)OCO4)c2=O)C1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GEYTVDUVSFBXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-3-15-9-16(29-23-15)10-22-20(25)19-13(2)6-7-24(21(19)26)11-14-4-5-17-18(8-14)28-12-27-17/h4-8,16H,3,9-12H2,1-2H3,(H,22,25).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide?
1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172669827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).