5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide

C26H36N4O3 — CID 26350779

IUPAC5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCN2CCC(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H36N4O3/c1-4-27-25(32)22-17-30(16-19(2)3)18-23(24(22)31)26(33)28-12-15-29-13-10-21(11-14-29)20-8-6-5-7-9-20/h5-9,17-19,21H,4,10-16H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyOCKUVSURQWFWFE-UHFFFAOYSA-N
MW452.60 g/mol
LogP2.86
Rot. Bonds9

About 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide

5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide (PubChem CID 26350779) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide
PubChem CID26350779
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCN2CCC(c3ccccc3)CC2)c1=O
InChIInChI=1S/C26H36N4O3/c1-4-27-25(32)22-17-30(16-19(2)3)18-23(24(22)31)26(33)28-12-15-29-13-10-21(11-14-29)20-8-6-5-7-9-20/h5-9,17-19,21H,4,10-16H2,1-3H3,(H,27,32)(H,28,33)
InChIKeyOCKUVSURQWFWFE-UHFFFAOYSA-N
XLogP2.86
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide (CID 26350779) is 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide is CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCCN2CCC(c3ccccc3)CC2)c1=O.
What is the InChIKey of 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide?
The InChIKey is OCKUVSURQWFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-4-27-25(32)22-17-30(16-19(2)3)18-23(24(22)31)26(33)28-12-15-29-13-10-21(11-14-29)20-8-6-5-7-9-20/h5-9,17-19,21H,4,10-16H2,1-3H3,(H,27,32)(H,28,33).
What are the key properties of 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide?
5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide has a molecular weight of 452.60 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26350779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).