N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

C18H20ClN3O2 — CID 108985607

IUPACN-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)N(C)CCc2ccncc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12-10-13(2)16(15(19)11-12)21-17(23)18(24)22(3)9-6-14-4-7-20-8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,21,23)
InChIKeyHHKOHRCRMNVZJF-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.99
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide

N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108985607) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108985607
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCc1cc(C)c(NC(=O)C(=O)N(C)CCc2ccncc2)c(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12-10-13(2)16(15(19)11-12)21-17(23)18(24)22(3)9-6-14-4-7-20-8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,21,23)
InChIKeyHHKOHRCRMNVZJF-UHFFFAOYSA-N
XLogP2.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-(2-pyridin-4-ylethyl)-N-(2,4,6-trimethylphenyl)oxamide
CID 108512257
N-(2-chloro-4,6-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109308987
N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985602
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985659
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985634
3-(2-chloro-4,6-dimethylphenyl)-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 74246739
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
CID 108984689
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008
N-methyl-N-(2-pyridin-4-ylethyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109351665
N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985621
N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108983935

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide (CID 108985607) is N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is Cc1cc(C)c(NC(=O)C(=O)N(C)CCc2ccncc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is HHKOHRCRMNVZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-10-13(2)16(15(19)11-12)21-17(23)18(24)22(3)9-6-14-4-7-20-8-5-14/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,21,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide?
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 345.83 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108985607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).