N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide

C18H21N3O2 — CID 108984689

IUPACN'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H21N3O2/c1-14-4-3-5-16(12-14)13-20-17(22)18(23)21(2)11-8-15-6-9-19-10-7-15/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,22)
InChIKeyAMUGQFGGXZKFAH-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.71
Rot. Bonds5

About N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide

N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide (PubChem CID 108984689) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide.

Molecular Properties

Compound NameN'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
PubChem CID108984689
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
SMILESCc1cccc(CNC(=O)C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H21N3O2/c1-14-4-3-5-16(12-14)13-20-17(22)18(23)21(2)11-8-15-6-9-19-10-7-15/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,22)
InChIKeyAMUGQFGGXZKFAH-UHFFFAOYSA-N
XLogP1.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.71
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

4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085775
N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169760
N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108983935
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
2-[methyl-[2-(3-methylphenyl)ethyl]amino]-2-oxoacetic acid
CID 82127746
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
N-(3-chloro-2-methylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985602
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985607

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide?
The IUPAC name of N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide (CID 108984689) is N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide.
What is the SMILES notation for N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide?
The canonical SMILES for N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide is Cc1cccc(CNC(=O)C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide?
The InChIKey is AMUGQFGGXZKFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-4-3-5-16(12-14)13-20-17(22)18(23)21(2)11-8-15-6-9-19-10-7-15/h3-7,9-10,12H,8,11,13H2,1-2H3,(H,20,22).
What are the key properties of N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide?
N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide has a molecular weight of 311.39 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide is sourced from PubChem (CID 108984689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).