N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C18H27N3O2 — CID 56710306

IUPACN-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC/C=C(\C)CN1CCC(CNC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-4-14(2)13-21-9-7-15(8-10-21)11-20-18(23)16-5-6-17(22)19-12-16/h4-6,12,15H,3,7-11,13H2,1-2H3,(H,19,22)(H,20,23)/b14-4+
InChIKeyCUYZLESGLSIDKG-LNKIKWGQSA-N
MW317.43 g/mol
LogP2.17
Rot. Bonds6

About N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56710306) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56710306
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC/C=C(\C)CN1CCC(CNC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C18H27N3O2/c1-3-4-14(2)13-21-9-7-15(8-10-21)11-20-18(23)16-5-6-17(22)19-12-16/h4-6,12,15H,3,7-11,13H2,1-2H3,(H,19,22)(H,20,23)/b14-4+
InChIKeyCUYZLESGLSIDKG-LNKIKWGQSA-N
XLogP2.17
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-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-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 56710306) is N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is CC/C=C(\C)CN1CCC(CNC(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CUYZLESGLSIDKG-LNKIKWGQSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-4-14(2)13-21-9-7-15(8-10-21)11-20-18(23)16-5-6-17(22)19-12-16/h4-6,12,15H,3,7-11,13H2,1-2H3,(H,19,22)(H,20,23)/b14-4+.
What are the key properties of N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(E)-2-methylpent-2-enyl]piperidin-4-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56710306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).