1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide

C25H34N4O3 — CID 163805471

IUPAC1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide
SMILESCCCN1CCC(CCCNC(=O)c2cc(C(N)=O)c(=O)n(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H34N4O3/c1-2-13-28-14-10-19(11-15-28)9-6-12-27-24(31)21-16-22(23(26)30)25(32)29(18-21)17-20-7-4-3-5-8-20/h3-5,7-8,16,18-19H,2,6,9-15,17H2,1H3,(H2,26,30)(H,27,31)
InChIKeyNIQOEYGLPAPFFJ-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.63
Rot. Bonds10

About 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide

1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide (PubChem CID 163805471) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide
PubChem CID163805471
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide
SMILESCCCN1CCC(CCCNC(=O)c2cc(C(N)=O)c(=O)n(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H34N4O3/c1-2-13-28-14-10-19(11-15-28)9-6-12-27-24(31)21-16-22(23(26)30)25(32)29(18-21)17-20-7-4-3-5-8-20/h3-5,7-8,16,18-19H,2,6,9-15,17H2,1H3,(H2,26,30)(H,27,31)
InChIKeyNIQOEYGLPAPFFJ-UHFFFAOYSA-N
XLogP2.63
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide (CID 163805471) is 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide is CCCN1CCC(CCCNC(=O)c2cc(C(N)=O)c(=O)n(Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide?
The InChIKey is NIQOEYGLPAPFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-2-13-28-14-10-19(11-15-28)9-6-12-27-24(31)21-16-22(23(26)30)25(32)29(18-21)17-20-7-4-3-5-8-20/h3-5,7-8,16,18-19H,2,6,9-15,17H2,1H3,(H2,26,30)(H,27,31).
What are the key properties of 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide?
1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide has a molecular weight of 438.57 g/mol, XLogP of 2.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 163805471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).