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

C25H25N3O6 — CID 3797071

IUPACN,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(c3cccnc3)CC(=O)N2c2cc(OC)ccc2OC)c1
InChIInChI=1S/C25H25N3O6/c1-31-17-7-9-21(33-3)19(12-17)27-24(30)25(16-6-5-11-26-15-16)14-23(29)28(25)20-13-18(32-2)8-10-22(20)34-4/h5-13,15H,14H2,1-4H3,(H,27,30)
InChIKeyZETLGKGDOMNWMU-UHFFFAOYSA-N
MW463.49 g/mol
LogP3.39
Rot. Bonds8

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

N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide (PubChem CID 3797071) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide.

Molecular Properties

Compound NameN,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide
PubChem CID3797071
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC NameN,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2(c3cccnc3)CC(=O)N2c2cc(OC)ccc2OC)c1
InChIInChI=1S/C25H25N3O6/c1-31-17-7-9-21(33-3)19(12-17)27-24(30)25(16-6-5-11-26-15-16)14-23(29)28(25)20-13-18(32-2)8-10-22(20)34-4/h5-13,15H,14H2,1-4H3,(H,27,30)
InChIKeyZETLGKGDOMNWMU-UHFFFAOYSA-N
XLogP3.39
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 3759360
N,1-bis(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-4-oxoazetidine-2-carboxamide
CID 3733169
N,1-bis(5-chloro-2,4-dimethoxyphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4268630
1-(2,5-dimethoxyphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 46584301
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 7693726
N-(2,5-dimethoxyphenyl)-3-pyridin-3-ylbutanamide
CID 110650393
N-(2,5-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 15997574
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
N-(5-methoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 6473397
N-(2,5-dimethoxyphenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110422839
N-(2,5-dimethoxyphenyl)adamantane-1-carboxamide
CID 532254
1-(2,5-dimethoxyphenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386711

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide?
The IUPAC name of N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide (CID 3797071) is N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide.
What is the SMILES notation for N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide?
The canonical SMILES for N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide is COc1ccc(OC)c(NC(=O)C2(c3cccnc3)CC(=O)N2c2cc(OC)ccc2OC)c1.
What is the InChIKey of N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide?
The InChIKey is ZETLGKGDOMNWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-31-17-7-9-21(33-3)19(12-17)27-24(30)25(16-6-5-11-26-15-16)14-23(29)28(25)20-13-18(32-2)8-10-22(20)34-4/h5-13,15H,14H2,1-4H3,(H,27,30).
What are the key properties of N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide?
N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2,5-dimethoxyphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carboxamide is sourced from PubChem (CID 3797071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).