N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide

C20H21N3O5 — CID 121156093

IUPACN-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide
SMILESCc1cc(OC2CN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc(=O)n1C1CC1
InChIInChI=1S/C20H21N3O5/c1-12-6-15(8-19(24)23(12)14-3-4-14)28-16-9-22(10-16)20(25)21-13-2-5-17-18(7-13)27-11-26-17/h2,5-8,14,16H,3-4,9-11H2,1H3,(H,21,25)
InChIKeyRNTDIEXBBMTWFR-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.52
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide (PubChem CID 121156093) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide
PubChem CID121156093
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide
SMILESCc1cc(OC2CN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc(=O)n1C1CC1
InChIInChI=1S/C20H21N3O5/c1-12-6-15(8-19(24)23(12)14-3-4-14)28-16-9-22(10-16)20(25)21-13-2-5-17-18(7-13)27-11-26-17/h2,5-8,14,16H,3-4,9-11H2,1H3,(H,21,25)
InChIKeyRNTDIEXBBMTWFR-UHFFFAOYSA-N
XLogP2.52
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide with MolForge

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Related Compounds

3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121156068
4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265539
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
(3R,4R)-N-(1,3-benzodioxol-5-yl)-3-fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 131923741
N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286582
N-(1,3-benzodioxol-5-yl)-4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 121115047
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
N-(1,3-benzodioxol-5-yl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109663
4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156367
N-(1,3-benzodioxol-5-yl)-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113934
ethyl (3aR,4R,5S,7aR)-2-(1,3-benzodioxol-5-ylcarbamoyl)-5-methyl-1,3,3a,4,5,7a-hexahydroisoindole-4-carboxylate
CID 154816407
N-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 72837983

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide (CID 121156093) is N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide is Cc1cc(OC2CN(C(=O)Nc3ccc4c(c3)OCO4)C2)cc(=O)n1C1CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide?
The InChIKey is RNTDIEXBBMTWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12-6-15(8-19(24)23(12)14-3-4-14)28-16-9-22(10-16)20(25)21-13-2-5-17-18(7-13)27-11-26-17/h2,5-8,14,16H,3-4,9-11H2,1H3,(H,21,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide is sourced from PubChem (CID 121156093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).