N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide

C23H17N3O6 — CID 3609277

IUPACN,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc3c(c2)OCO3)(c2cccnc2)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C23H17N3O6/c27-21-10-23(14-2-1-7-24-11-14,26(21)16-4-6-18-20(9-16)32-13-30-18)22(28)25-15-3-5-17-19(8-15)31-12-29-17/h1-9,11H,10,12-13H2,(H,25,28)
InChIKeyCLVNKZGCIQONCL-UHFFFAOYSA-N
MW431.40 g/mol
LogP2.81
Rot. Bonds4

About N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide

N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide (PubChem CID 3609277) has the molecular formula C23H17N3O6 and a molecular weight of 431.40 g/mol. Its IUPAC name is N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide
PubChem CID3609277
Molecular FormulaC23H17N3O6
Molecular Weight431.40 g/mol
Exact Mass431.11
IUPAC NameN,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc3c(c2)OCO3)(c2cccnc2)N1c1ccc2c(c1)OCO2
InChIInChI=1S/C23H17N3O6/c27-21-10-23(14-2-1-7-24-11-14,26(21)16-4-6-18-20(9-16)32-13-30-18)22(28)25-15-3-5-17-19(8-15)31-12-29-17/h1-9,11H,10,12-13H2,(H,25,28)
InChIKeyCLVNKZGCIQONCL-UHFFFAOYSA-N
XLogP2.81
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
CID 3710994
1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-3-ylcyclopentyl)thiourea
CID 100767333
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 84505135
N-(1,3-benzodioxol-5-yl)-4-phenyloxane-4-carboxamide
CID 27456004
(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide
CID 97105209
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 113198842
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
CID 112982804
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 2526301

Frequently Asked Questions

What is the IUPAC name of N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide?
The IUPAC name of N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide (CID 3609277) is N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide is O=C1CC(C(=O)Nc2ccc3c(c2)OCO3)(c2cccnc2)N1c1ccc2c(c1)OCO2.
What is the InChIKey of N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide?
The InChIKey is CLVNKZGCIQONCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O6/c27-21-10-23(14-2-1-7-24-11-14,26(21)16-4-6-18-20(9-16)32-13-30-18)22(28)25-15-3-5-17-19(8-15)31-12-29-17/h1-9,11H,10,12-13H2,(H,25,28).
What are the key properties of N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide?
N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide has a molecular weight of 431.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(1,3-benzodioxol-5-yl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide is sourced from PubChem (CID 3609277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).