2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one

C17H26N2O2 — CID 82217124

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
SMILESC=CCN(CC=C)Cc1c(O)c(=O)cc(C)n1C(C)CC
InChIInChI=1S/C17H26N2O2/c1-6-9-18(10-7-2)12-15-17(21)16(20)11-14(5)19(15)13(4)8-3/h6-7,11,13,21H,1-2,8-10,12H2,3-5H3
InChIKeyMVFFPGVNWOFQGQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.01
Rot. Bonds8

About 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one

2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one (PubChem CID 82217124) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
PubChem CID82217124
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one
SMILESC=CCN(CC=C)Cc1c(O)c(=O)cc(C)n1C(C)CC
InChIInChI=1S/C17H26N2O2/c1-6-9-18(10-7-2)12-15-17(21)16(20)11-14(5)19(15)13(4)8-3/h6-7,11,13,21H,1-2,8-10,12H2,3-5H3
InChIKeyMVFFPGVNWOFQGQ-UHFFFAOYSA-N
XLogP3.01
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one 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 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one (CID 82217124) is 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one is C=CCN(CC=C)Cc1c(O)c(=O)cc(C)n1C(C)CC.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one?
The InChIKey is MVFFPGVNWOFQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-9-18(10-7-2)12-15-17(21)16(20)11-14(5)19(15)13(4)8-3/h6-7,11,13,21H,1-2,8-10,12H2,3-5H3.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one?
2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one has a molecular weight of 290.41 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]-1-butan-2-yl-3-hydroxy-6-methylpyridin-4-one is sourced from PubChem (CID 82217124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).