2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide

C19H23N3O3 — CID 4881343

IUPAC2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C(=O)Nc1cccnc1)C(C)C
InChIInChI=1S/C19H23N3O3/c1-4-25-16-10-6-5-9-15(16)18(23)22-17(13(2)3)19(24)21-14-8-7-11-20-12-14/h5-13,17H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyWIYZQPJRXSBMEU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.87
Rot. Bonds7

About 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide

2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide (PubChem CID 4881343) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
PubChem CID4881343
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC(C(=O)Nc1cccnc1)C(C)C
InChIInChI=1S/C19H23N3O3/c1-4-25-16-10-6-5-9-15(16)18(23)22-17(13(2)3)19(24)21-14-8-7-11-20-12-14/h5-13,17H,4H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyWIYZQPJRXSBMEU-UHFFFAOYSA-N
XLogP2.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide (CID 4881343) is 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide is CCOc1ccccc1C(=O)NC(C(=O)Nc1cccnc1)C(C)C.
What is the InChIKey of 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide?
The InChIKey is WIYZQPJRXSBMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-25-16-10-6-5-9-15(16)18(23)22-17(13(2)3)19(24)21-14-8-7-11-20-12-14/h5-13,17H,4H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide?
2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-methyl-1-oxo-1-(pyridin-3-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 4881343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).