3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide

C18H19N3O4 — CID 139335045

IUPAC3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccccc1N(C=O)C(C)C(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C18H19N3O4/c1-13(21(12-22)15-8-3-4-9-16(15)25-2)17(23)18(24)20-11-14-7-5-6-10-19-14/h3-10,12-13H,11H2,1-2H3,(H,20,24)
InChIKeyZUKGGOGJPOAIFO-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.33
Rot. Bonds8

About 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide

3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 139335045) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide
PubChem CID139335045
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide
SMILESCOc1ccccc1N(C=O)C(C)C(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C18H19N3O4/c1-13(21(12-22)15-8-3-4-9-16(15)25-2)17(23)18(24)20-11-14-7-5-6-10-19-14/h3-10,12-13H,11H2,1-2H3,(H,20,24)
InChIKeyZUKGGOGJPOAIFO-UHFFFAOYSA-N
XLogP1.33
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(N-formyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)-2-oxobutanamide
CID 134349382
(E)-3-(2-methoxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 36714365
methyl (3S)-3-(pyridin-2-ylmethylamino)butanoate
CID 93105864
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
N',N'-diethyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518344
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
CID 3136532
2-(N-acetyl-2,5-dimethoxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 113174542
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 94020280
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617

Frequently Asked Questions

What is the IUPAC name of 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide (CID 139335045) is 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide is COc1ccccc1N(C=O)C(C)C(=O)C(=O)NCc1ccccn1.
What is the InChIKey of 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is ZUKGGOGJPOAIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(21(12-22)15-8-3-4-9-16(15)25-2)17(23)18(24)20-11-14-7-5-6-10-19-14/h3-10,12-13H,11H2,1-2H3,(H,20,24).
What are the key properties of 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide?
3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 341.37 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-formyl-2-methoxyanilino)-2-oxo-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 139335045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).