N'-(3-methyl-2-pyridinyl)-N-propyloxamide

C11H15N3O2 — CID 44997048

IUPACN'-(3-methyl-2-pyridinyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1ncccc1C
InChIInChI=1S/C11H15N3O2/c1-3-6-13-10(15)11(16)14-9-8(2)5-4-7-12-9/h4-5,7H,3,6H2,1-2H3,(H,13,15)(H,12,14,16)
InChIKeySKUWYNDEQYVMLL-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.85
Rot. Bonds3

About N'-(3-methyl-2-pyridinyl)-N-propyloxamide

N'-(3-methyl-2-pyridinyl)-N-propyloxamide (PubChem CID 44997048) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N'-(3-methyl-2-pyridinyl)-N-propyloxamide.

Molecular Properties

Compound NameN'-(3-methyl-2-pyridinyl)-N-propyloxamide
PubChem CID44997048
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN'-(3-methyl-2-pyridinyl)-N-propyloxamide
SMILESCCCNC(=O)C(=O)Nc1ncccc1C
InChIInChI=1S/C11H15N3O2/c1-3-6-13-10(15)11(16)14-9-8(2)5-4-7-12-9/h4-5,7H,3,6H2,1-2H3,(H,13,15)(H,12,14,16)
InChIKeySKUWYNDEQYVMLL-UHFFFAOYSA-N
XLogP0.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.85
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-propyl-N'-pyrimidin-2-yloxamide
CID 44996511
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(3-methyl-2-pyridinyl)oxamide
CID 108529757
1-butyl-3-(3-methyl-2-pyridinyl)thiourea
CID 19685982
N-(4-hydroxyphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 44997063
N-(3-methyl-2-pyridinyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519230
N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
CID 52671364
(2R)-2-amino-N-(3-methyl-2-pyridinyl)pentanamide
CID 107568105
N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide
CID 108518697
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108532495
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500634

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-2-pyridinyl)-N-propyloxamide?
The IUPAC name of N'-(3-methyl-2-pyridinyl)-N-propyloxamide (CID 44997048) is N'-(3-methyl-2-pyridinyl)-N-propyloxamide.
What is the SMILES notation for N'-(3-methyl-2-pyridinyl)-N-propyloxamide?
The canonical SMILES for N'-(3-methyl-2-pyridinyl)-N-propyloxamide is CCCNC(=O)C(=O)Nc1ncccc1C.
What is the InChIKey of N'-(3-methyl-2-pyridinyl)-N-propyloxamide?
The InChIKey is SKUWYNDEQYVMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-6-13-10(15)11(16)14-9-8(2)5-4-7-12-9/h4-5,7H,3,6H2,1-2H3,(H,13,15)(H,12,14,16).
What are the key properties of N'-(3-methyl-2-pyridinyl)-N-propyloxamide?
N'-(3-methyl-2-pyridinyl)-N-propyloxamide has a molecular weight of 221.26 g/mol, XLogP of 0.85, 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-propyloxamide is sourced from PubChem (CID 44997048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).