N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide

C16H17N3O2 — CID 44999915

IUPACN-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-11-3-5-13(6-4-11)10-18-15(20)16(21)19-14-9-12(2)7-8-17-14/h3-9H,10H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyIJINYJNAKNNZKW-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.95
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide

N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide (PubChem CID 44999915) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
PubChem CID44999915
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)Nc2cc(C)ccn2)cc1
InChIInChI=1S/C16H17N3O2/c1-11-3-5-13(6-4-11)10-18-15(20)16(21)19-14-9-12(2)7-8-17-14/h3-9H,10H2,1-2H3,(H,18,20)(H,17,19,21)
InChIKeyIJINYJNAKNNZKW-UHFFFAOYSA-N
XLogP1.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999955
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999999
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
N-(2-methylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000004
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
N'-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 16799810
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
N-[4-(diethylamino)phenyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 108530624

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide (CID 44999915) is N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide is Cc1ccc(CNC(=O)C(=O)Nc2cc(C)ccn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide?
The InChIKey is IJINYJNAKNNZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-3-5-13(6-4-11)10-18-15(20)16(21)19-14-9-12(2)7-8-17-14/h3-9H,10H2,1-2H3,(H,18,20)(H,17,19,21).
What are the key properties of N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide?
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 44999915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).