N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide

C17H19N3O2 — CID 108500634

IUPACN'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H19N3O2/c1-11(2)13-8-4-5-9-14(13)19-16(21)17(22)20-15-12(3)7-6-10-18-15/h4-11H,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyBBERDPVNDZIZBA-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.09
Rot. Bonds3

About N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide

N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide (PubChem CID 108500634) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
PubChem CID108500634
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C17H19N3O2/c1-11(2)13-8-4-5-9-14(13)19-16(21)17(22)20-15-12(3)7-6-10-18-15/h4-11H,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyBBERDPVNDZIZBA-UHFFFAOYSA-N
XLogP3.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.09
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

2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108532495
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108532491
N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 44997063
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
N-(2-propan-2-ylphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108500578
N-(2-methoxy-5-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 44997061
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-(3-methyl-2-pyridinyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519230

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide (CID 108500634) is N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide is Cc1cccnc1NC(=O)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide?
The InChIKey is BBERDPVNDZIZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(2)13-8-4-5-9-14(13)19-16(21)17(22)20-15-12(3)7-6-10-18-15/h4-11H,1-3H3,(H,19,21)(H,18,20,22).
What are the key properties of N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide?
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide has a molecular weight of 297.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 108500634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).