N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide

C23H22N2O4 — CID 53148141

IUPACN-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C23H22N2O4/c1-14-10-15(2)25-22(16-4-7-18(27-3)8-5-16)19(14)12-24-23(26)17-6-9-20-21(11-17)29-13-28-20/h4-11H,12-13H2,1-3H3,(H,24,26)
InChIKeyOZALBZGMDUDXJG-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.03
Rot. Bonds5

About N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 53148141) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID53148141
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C23H22N2O4/c1-14-10-15(2)25-22(16-4-7-18(27-3)8-5-16)19(14)12-24-23(26)17-6-9-20-21(11-17)29-13-28-20/h4-11H,12-13H2,1-3H3,(H,24,26)
InChIKeyOZALBZGMDUDXJG-UHFFFAOYSA-N
XLogP4.03
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6'-(2-(1-(Pyridin-2-ylmethyl)piperidin-4-yl)ethyl)spiro[cyClopropane-1,5'-[1,3]dioxolo[4,5-f]isoindol]-7'(6'H)-one
CID 72707125
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 787253
N-cyclopentyl-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 1223033
N-[(1,2-dimethylindol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 3267796
N-[2-(1H-indol-3-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
CID 9406470
3,4-Dimethoxy-N-(3-pyridinylmethyl)benzamide
CID 597002
N-(3-pyridinylmethyl)-1,3-benzodioxole-5-carboxamide
CID 654053
2-(1,3-benzodioxol-5-yl)-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)quinoline-4-carboxamide
CID 1222713
N-[(2-methyl-4-quinolinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 1504333
2-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 2930838
2-ethyl-6,7-dimethoxy-1-oxo-N-(pyridin-3-ylmethyl)-1,2-dihydroisoquinoline-4-carboxamide
CID 3239765

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide (CID 53148141) is N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(-c2nc(C)cc(C)c2CNC(=O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is OZALBZGMDUDXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14-10-15(2)25-22(16-4-7-18(27-3)8-5-16)19(14)12-24-23(26)17-6-9-20-21(11-17)29-13-28-20/h4-11H,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 53148141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).