1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide

C21H22N4O5 — CID 172663472

IUPAC1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCCCc1noc(CN(C)C(=O)c2c(C)ccn(-c3ccc4c(c3)OCO4)c2=O)n1
InChIInChI=1S/C21H22N4O5/c1-4-5-17-22-18(30-23-17)11-24(3)20(26)19-13(2)8-9-25(21(19)27)14-6-7-15-16(10-14)29-12-28-15/h6-10H,4-5,11-12H2,1-3H3
InChIKeyKMCHCALPERPPEG-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.48
Rot. Bonds6

About 1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide (PubChem CID 172663472) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
PubChem CID172663472
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
SMILESCCCc1noc(CN(C)C(=O)c2c(C)ccn(-c3ccc4c(c3)OCO4)c2=O)n1
InChIInChI=1S/C21H22N4O5/c1-4-5-17-22-18(30-23-17)11-24(3)20(26)19-13(2)8-9-25(21(19)27)14-6-7-15-16(10-14)29-12-28-15/h6-10H,4-5,11-12H2,1-3H3
InChIKeyKMCHCALPERPPEG-UHFFFAOYSA-N
XLogP2.48
TPSA99.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
4-[1-(1,3-benzodioxol-5-yl)-4-methyl-2-oxopyridine-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 172665514
1-cyclopropyl-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172655430
1-ethyl-N-methyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 131943602
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
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
N-ethyl-1-(4-fluorophenyl)-4-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxopyridine-3-carboxamide
CID 172667244
1-(1,3-benzodioxol-5-yl)-4-methyl-N-(oxan-4-ylmethyl)-2-oxopyridine-3-carboxamide
CID 172670662
1-(1,3-benzodioxol-5-yl)-3-(2-ethylpiperidine-1-carbonyl)-4-methylpyridin-2-one
CID 172668299
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 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) is 1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is CCCc1noc(CN(C)C(=O)c2c(C)ccn(-c3ccc4c(c3)OCO4)c2=O)n1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
The InChIKey is KMCHCALPERPPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-4-5-17-22-18(30-23-17)11-24(3)20(26)19-13(2)8-9-25(21(19)27)14-6-7-15-16(10-14)29-12-28-15/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide has a molecular weight of 410.43 g/mol, XLogP of 2.48, 6 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,4-dimethyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 172663472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).