5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

C21H33N3O3 — CID 45224585

IUPAC5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NC(C)CC)c1=O
InChIInChI=1S/C21H33N3O3/c1-5-7-12-23(4)21(27)18-14-24(16-10-8-9-11-16)13-17(19(18)25)20(26)22-15(3)6-2/h13-16H,5-12H2,1-4H3,(H,22,26)
InChIKeyIEPRGLYFYHGAEK-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.36
Rot. Bonds8

About 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45224585) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID45224585
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NC(C)CC)c1=O
InChIInChI=1S/C21H33N3O3/c1-5-7-12-23(4)21(27)18-14-24(16-10-8-9-11-16)13-17(19(18)25)20(26)22-15(3)6-2/h13-16H,5-12H2,1-4H3,(H,22,26)
InChIKeyIEPRGLYFYHGAEK-UHFFFAOYSA-N
XLogP3.36
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (CID 45224585) is 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is CCCCN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NC(C)CC)c1=O.
What is the InChIKey of 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is IEPRGLYFYHGAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-5-7-12-23(4)21(27)18-14-24(16-10-8-9-11-16)13-17(19(18)25)20(26)22-15(3)6-2/h13-16H,5-12H2,1-4H3,(H,22,26).
What are the key properties of 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45224585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).