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

C18H20Cl2N2O3 — CID 51128954

IUPAC3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
SMILESCOc1c(Cl)cc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c1-10-8-21-15(11(2)16(10)24-4)9-22(3)18(23)12-6-13(19)17(25-5)14(20)7-12/h6-8H,9H2,1-5H3
InChIKeyKHLJSKLTUXSOLJ-UHFFFAOYSA-N
MW383.28 g/mol
LogP4.29
Rot. Bonds5

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

3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide (PubChem CID 51128954) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
PubChem CID51128954
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC Name3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
SMILESCOc1c(Cl)cc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)cc1Cl
InChIInChI=1S/C18H20Cl2N2O3/c1-10-8-21-15(11(2)16(10)24-4)9-22(3)18(23)12-6-13(19)17(25-5)14(20)7-12/h6-8H,9H2,1-5H3
InChIKeyKHLJSKLTUXSOLJ-UHFFFAOYSA-N
XLogP4.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
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
(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
1-(4-amino-3-chlorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 116581908
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 51128965
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,3-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 71881925
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-3-[(2R)-oxolan-2-yl]propanamide
CID 94820014
2-(5-acetylthiophen-3-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylacetamide
CID 118765356

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide?
The IUPAC name of 3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide (CID 51128954) is 3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide is COc1c(Cl)cc(C(=O)N(C)Cc2ncc(C)c(OC)c2C)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide?
The InChIKey is KHLJSKLTUXSOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-10-8-21-15(11(2)16(10)24-4)9-22(3)18(23)12-6-13(19)17(25-5)14(20)7-12/h6-8H,9H2,1-5H3.
What are the key properties of 3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide?
3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide has a molecular weight of 383.28 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 51128954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).