5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide

C24H37N3O4 — CID 45249695

IUPAC5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)NC2CCOC(C)(C)C2)c1
InChIInChI=1S/C24H37N3O4/c1-16(2)9-11-27-14-19(22(29)25-17-7-5-6-8-17)21(28)20(15-27)23(30)26-18-10-12-31-24(3,4)13-18/h14-18H,5-13H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyWEEUBBIOECPTNT-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.25
Rot. Bonds7

About 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide

5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45249695) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID45249695
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Name5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)NC2CCOC(C)(C)C2)c1
InChIInChI=1S/C24H37N3O4/c1-16(2)9-11-27-14-19(22(29)25-17-7-5-6-8-17)21(28)20(15-27)23(30)26-18-10-12-31-24(3,4)13-18/h14-18H,5-13H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyWEEUBBIOECPTNT-UHFFFAOYSA-N
XLogP3.25
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide (CID 45249695) is 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide is CC(C)CCn1cc(C(=O)NC2CCCC2)c(=O)c(C(=O)NC2CCOC(C)(C)C2)c1.
What is the InChIKey of 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is WEEUBBIOECPTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-16(2)9-11-27-14-19(22(29)25-17-7-5-6-8-17)21(28)20(15-27)23(30)26-18-10-12-31-24(3,4)13-18/h14-18H,5-13H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide?
5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 431.58 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45249695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).