2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide

C12H15N3O4 — CID 79156448

IUPAC2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc(C)nc1C=O
InChIInChI=1S/C12H15N3O4/c1-7-4-5-10(9(6-16)14-7)19-8(2)11(17)15-12(18)13-3/h4-6,8H,1-3H3,(H2,13,15,17,18)
InChIKeyQAWOTEVUNPFZTC-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.43
Rot. Bonds4

About 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide

2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide (PubChem CID 79156448) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
PubChem CID79156448
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Oc1ccc(C)nc1C=O
InChIInChI=1S/C12H15N3O4/c1-7-4-5-10(9(6-16)14-7)19-8(2)11(17)15-12(18)13-3/h4-6,8H,1-3H3,(H2,13,15,17,18)
InChIKeyQAWOTEVUNPFZTC-UHFFFAOYSA-N
XLogP0.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
CID 63366328
6-methyl-3-pentan-2-yloxypyridine-2-carbaldehyde
CID 107894824
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-carbamoylpropanamide
CID 62098983
(2R)-2-(2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7815932
3-[3-[1-(ethylamino)-1-oxopropan-2-yl]oxy-6-methyl-2-pyridinyl]prop-2-enoic acid
CID 79169058
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084667
2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 16528137
(2S)-2-(4-bromo-2-chlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 7382474
(2S)-N-(methylcarbamoyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 8764804
(2S)-2-(2,5-dichlorophenoxy)-N-(methylcarbamoyl)propanamide
CID 40744738

Frequently Asked Questions

What is the IUPAC name of 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide (CID 79156448) is 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Oc1ccc(C)nc1C=O.
What is the InChIKey of 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is QAWOTEVUNPFZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-4-5-10(9(6-16)14-7)19-8(2)11(17)15-12(18)13-3/h4-6,8H,1-3H3,(H2,13,15,17,18).
What are the key properties of 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide?
2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 265.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-formyl-6-methyl-3-pyridinyl)oxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 79156448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).