N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

C18H21N3O4 — CID 108985621

IUPACN-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N(C)CCc2ccncc2)c(OC)c1
InChIInChI=1S/C18H21N3O4/c1-21(11-8-13-6-9-19-10-7-13)18(23)17(22)20-15-5-4-14(24-2)12-16(15)25-3/h4-7,9-10,12H,8,11H2,1-3H3,(H,20,22)
InChIKeyPJWJTHFNJUNTEL-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.74
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108985621) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108985621
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N(C)CCc2ccncc2)c(OC)c1
InChIInChI=1S/C18H21N3O4/c1-21(11-8-13-6-9-19-10-7-13)18(23)17(22)20-15-5-4-14(24-2)12-16(15)25-3/h4-7,9-10,12H,8,11H2,1-3H3,(H,20,22)
InChIKeyPJWJTHFNJUNTEL-UHFFFAOYSA-N
XLogP1.74
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285036
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237038
N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
CID 108511949
3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea
CID 151817629
N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985602
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985634
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993755
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309086
1-N-(2,4-dimethoxyphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137267

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108985621) is N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is COc1ccc(NC(=O)C(=O)N(C)CCc2ccncc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is PJWJTHFNJUNTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-21(11-8-13-6-9-19-10-7-13)18(23)17(22)20-15-5-4-14(24-2)12-16(15)25-3/h4-7,9-10,12H,8,11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 343.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108985621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).