N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide

C16H17N3O2 — CID 108518877

IUPACN'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H17N3O2/c1-12-8-9-17-14(10-12)18-15(20)16(21)19(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18,20)
InChIKeyPYPXYKNUUQXJAY-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.99
Rot. Bonds3

About N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide

N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide (PubChem CID 108518877) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide
PubChem CID108518877
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H17N3O2/c1-12-8-9-17-14(10-12)18-15(20)16(21)19(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18,20)
InChIKeyPYPXYKNUUQXJAY-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
2-benzylsulfonyl-N-(4-methyl-2-pyridinyl)acetamide
CID 1094082
N-(4-methyl-2-pyridinyl)-3-oxo-3-phenylpropanamide
CID 101440867
N-(2-methylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000004
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915
N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)butanediamide
CID 3208424
N-benzhydryl-3-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 56526707
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide (CID 108518877) is N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide is Cc1ccnc(NC(=O)C(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide?
The InChIKey is PYPXYKNUUQXJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-8-9-17-14(10-12)18-15(20)16(21)19(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,18,20).
What are the key properties of N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide?
N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108518877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).