N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide

C19H31N3O2 — CID 84596672

IUPACN-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2cc(CC(C)C)[nH]c(=O)c2)C(C)C1
InChIInChI=1S/C19H31N3O2/c1-6-22-8-7-17(14(4)12-22)21(5)19(24)15-10-16(9-13(2)3)20-18(23)11-15/h10-11,13-14,17H,6-9,12H2,1-5H3,(H,20,23)
InChIKeyGOJPLOCNCHZUAO-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.38
Rot. Bonds5

About N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide

N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 84596672) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
PubChem CID84596672
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide
SMILESCCN1CCC(N(C)C(=O)c2cc(CC(C)C)[nH]c(=O)c2)C(C)C1
InChIInChI=1S/C19H31N3O2/c1-6-22-8-7-17(14(4)12-22)21(5)19(24)15-10-16(9-13(2)3)20-18(23)11-15/h10-11,13-14,17H,6-9,12H2,1-5H3,(H,20,23)
InChIKeyGOJPLOCNCHZUAO-UHFFFAOYSA-N
XLogP2.38
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide (CID 84596672) is N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide is CCN1CCC(N(C)C(=O)c2cc(CC(C)C)[nH]c(=O)c2)C(C)C1.
What is the InChIKey of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is GOJPLOCNCHZUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-6-22-8-7-17(14(4)12-22)21(5)19(24)15-10-16(9-13(2)3)20-18(23)11-15/h10-11,13-14,17H,6-9,12H2,1-5H3,(H,20,23).
What are the key properties of N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide?
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 84596672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).