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

C20H20N4O5 — CID 172672125

IUPAC1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1c(C)ccn(-c2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C20H20N4O5/c1-4-23(10-17-21-13(3)22-29-17)19(25)18-12(2)7-8-24(20(18)26)14-5-6-15-16(9-14)28-11-27-15/h5-9H,4,10-11H2,1-3H3
InChIKeyOGLFVJJJMNMNRN-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.23
Rot. Bonds5

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

1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172672125) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID172672125
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)c1c(C)ccn(-c2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C20H20N4O5/c1-4-23(10-17-21-13(3)22-29-17)19(25)18-12(2)7-8-24(20(18)26)14-5-6-15-16(9-14)28-11-27-15/h5-9H,4,10-11H2,1-3H3
InChIKeyOGLFVJJJMNMNRN-UHFFFAOYSA-N
XLogP2.23
TPSA99.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 172663472
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 172656969
6-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 172660870
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxamide
CID 172670662
4-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 172665514
1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one
CID 172668299
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-1-(1,3-benzodioxol-5-yl)-4-methylpyridin-2-one
CID 172658823
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-morpholin-2-ylethyl)-2-oxopyridine-3-carboxamide
CID 172669805
methyl (2S,3S)-2-[[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylpentanoate
CID 172667595
1-(1,3-benzodioxol-5-yl)-4-methyl-3-[2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carbonyl]pyridin-2-one
CID 172668075
1-(1,3-benzodioxol-5-yl)-N-(3,3-difluorocyclobutyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172664338
2-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 172656615

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide (CID 172672125) is 1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide is CCN(Cc1nc(C)no1)C(=O)c1c(C)ccn(-c2ccc3c(c2)OCO3)c1=O.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is OGLFVJJJMNMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-4-23(10-17-21-13(3)22-29-17)19(25)18-12(2)7-8-24(20(18)26)14-5-6-15-16(9-14)28-11-27-15/h5-9H,4,10-11H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-ethyl-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172672125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).