3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide

C20H26N2O5 — CID 51128958

IUPAC3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)cc(OC)c1OC
InChIInChI=1S/C20H26N2O5/c1-12-10-21-15(13(2)18(12)26-6)11-22(3)20(23)14-8-16(24-4)19(27-7)17(9-14)25-5/h8-10H,11H2,1-7H3
InChIKeyJQDSEQICYIUZRA-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.01
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide

3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide (PubChem CID 51128958) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
PubChem CID51128958
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)cc(OC)c1OC
InChIInChI=1S/C20H26N2O5/c1-12-10-21-15(13(2)18(12)26-6)11-22(3)20(23)14-8-16(24-4)19(27-7)17(9-14)25-5/h8-10H,11H2,1-7H3
InChIKeyJQDSEQICYIUZRA-UHFFFAOYSA-N
XLogP3.01
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128954
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 51100025
4-[4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylcarbamoyl]phenoxy]benzamide
CID 56548346
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 146085594
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide
CID 47086432
N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316113
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316114
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51128965
N-(2-aminopropyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 63755028
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 71881925

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide (CID 51128958) is 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide?
The InChIKey is JQDSEQICYIUZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-12-10-21-15(13(2)18(12)26-6)11-22(3)20(23)14-8-16(24-4)19(27-7)17(9-14)25-5/h8-10H,11H2,1-7H3.
What are the key properties of 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide?
3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 51128958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).