N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide

C24H24N4O4 — CID 141055171

IUPACN-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2=NN(Cc3ccccc3NC(=O)c3cccnc3)COC2)cc1OC
InChIInChI=1S/C24H24N4O4/c1-30-22-10-9-17(12-23(22)31-2)21-15-32-16-28(27-21)14-19-6-3-4-8-20(19)26-24(29)18-7-5-11-25-13-18/h3-13H,14-16H2,1-2H3,(H,26,29)
InChIKeyBAZOLHKQAZMGEN-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.55
Rot. Bonds7

About N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 141055171) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide
PubChem CID141055171
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C2=NN(Cc3ccccc3NC(=O)c3cccnc3)COC2)cc1OC
InChIInChI=1S/C24H24N4O4/c1-30-22-10-9-17(12-23(22)31-2)21-15-32-16-28(27-21)14-19-6-3-4-8-20(19)26-24(29)18-7-5-11-25-13-18/h3-13H,14-16H2,1-2H3,(H,26,29)
InChIKeyBAZOLHKQAZMGEN-UHFFFAOYSA-N
XLogP3.55
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide (CID 141055171) is N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide is COc1ccc(C2=NN(Cc3ccccc3NC(=O)c3cccnc3)COC2)cc1OC.
What is the InChIKey of N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is BAZOLHKQAZMGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-30-22-10-9-17(12-23(22)31-2)21-15-32-16-28(27-21)14-19-6-3-4-8-20(19)26-24(29)18-7-5-11-25-13-18/h3-13H,14-16H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(3,4-dimethoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 141055171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).