N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide

C15H17N3O3 — CID 159903319

IUPACN-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCN1C=CC(=O)CC1=O
InChIInChI=1S/C15H17N3O3/c1-16-13-5-3-2-4-12(13)15(21)17-7-9-18-8-6-11(19)10-14(18)20/h2-6,8,16H,7,9-10H2,1H3,(H,17,21)
InChIKeyNWFXJUHQTRIYNZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.77
Rot. Bonds5

About N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide

N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide (PubChem CID 159903319) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide
PubChem CID159903319
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NCCN1C=CC(=O)CC1=O
InChIInChI=1S/C15H17N3O3/c1-16-13-5-3-2-4-12(13)15(21)17-7-9-18-8-6-11(19)10-14(18)20/h2-6,8,16H,7,9-10H2,1H3,(H,17,21)
InChIKeyNWFXJUHQTRIYNZ-UHFFFAOYSA-N
XLogP0.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 135273268
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CID 61377294
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 61377470
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62979065
2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450456
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
N-[2-[(2-hydroxy-5-oxopyrrolidin-3-yl)amino]ethyl]-2-(methylamino)benzamide
CID 130441749
N-[2-(1,1-dioxothian-4-yl)ethyl]-2-(methylamino)benzamide
CID 128713300
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide?
The IUPAC name of N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide (CID 159903319) is N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NCCN1C=CC(=O)CC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide?
The InChIKey is NWFXJUHQTRIYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-16-13-5-3-2-4-12(13)15(21)17-7-9-18-8-6-11(19)10-14(18)20/h2-6,8,16H,7,9-10H2,1H3,(H,17,21).
What are the key properties of N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide?
N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1-pyridinyl)ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 159903319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).