5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide

C22H36N4O3 — CID 26341265

IUPAC5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCN2CCCC2)c1=O
InChIInChI=1S/C22H36N4O3/c1-16(2)7-8-23-21(28)18-14-26(13-17(3)4)15-19(20(18)27)22(29)24-9-12-25-10-5-6-11-25/h14-17H,5-13H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyYEUDUPSNZCBBMB-UHFFFAOYSA-N
MW404.56 g/mol
LogP2.11
Rot. Bonds10

About 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide

5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 26341265) has the molecular formula C22H36N4O3 and a molecular weight of 404.56 g/mol. Its IUPAC name is 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID26341265
Molecular FormulaC22H36N4O3
Molecular Weight404.56 g/mol
Exact Mass404.28
IUPAC Name5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCN2CCCC2)c1=O
InChIInChI=1S/C22H36N4O3/c1-16(2)7-8-23-21(28)18-14-26(13-17(3)4)15-19(20(18)27)22(29)24-9-12-25-10-5-6-11-25/h14-17H,5-13H2,1-4H3,(H,23,28)(H,24,29)
InChIKeyYEUDUPSNZCBBMB-UHFFFAOYSA-N
XLogP2.11
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide (CID 26341265) is 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide is CC(C)CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCN2CCCC2)c1=O.
What is the InChIKey of 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is YEUDUPSNZCBBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O3/c1-16(2)7-8-23-21(28)18-14-26(13-17(3)4)15-19(20(18)27)22(29)24-9-12-25-10-5-6-11-25/h14-17H,5-13H2,1-4H3,(H,23,28)(H,24,29).
What are the key properties of 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide?
5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 404.56 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26341265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).