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

C18H21N3O2 — CID 2958007

IUPACN-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C18H21N3O2/c1-13(2)16(21-17(22)14-8-4-3-5-9-14)18(23)20-12-15-10-6-7-11-19-15/h3-11,13,16H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMALUHLIJGCIEHU-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.15
Rot. Bonds6

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

N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide (PubChem CID 2958007) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
PubChem CID2958007
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccn1
InChIInChI=1S/C18H21N3O2/c1-13(2)16(21-17(22)14-8-4-3-5-9-14)18(23)20-12-15-10-6-7-11-19-15/h3-11,13,16H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMALUHLIJGCIEHU-UHFFFAOYSA-N
XLogP2.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide (CID 2958007) is N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccn1.
What is the InChIKey of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide?
The InChIKey is MALUHLIJGCIEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)16(21-17(22)14-8-4-3-5-9-14)18(23)20-12-15-10-6-7-11-19-15/h3-11,13,16H,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide?
N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 2958007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).