5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide

C16H23N3O — CID 175653288

IUPAC5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(CC2CCCN(C)C2)c1
InChIInChI=1S/C16H23N3O/c1-3-6-18-16(20)15-9-14(10-17-11-15)8-13-5-4-7-19(2)12-13/h3,9-11,13H,1,4-8,12H2,2H3,(H,18,20)
InChIKeyURYSIDOYYJSNCE-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.88
Rot. Bonds5

About 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide

5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 175653288) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID175653288
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(CC2CCCN(C)C2)c1
InChIInChI=1S/C16H23N3O/c1-3-6-18-16(20)15-9-14(10-17-11-15)8-13-5-4-7-19(2)12-13/h3,9-11,13H,1,4-8,12H2,2H3,(H,18,20)
InChIKeyURYSIDOYYJSNCE-UHFFFAOYSA-N
XLogP1.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-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 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide (CID 175653288) is 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cncc(CC2CCCN(C)C2)c1.
What is the InChIKey of 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is URYSIDOYYJSNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-6-18-16(20)15-9-14(10-17-11-15)8-13-5-4-7-19(2)12-13/h3,9-11,13H,1,4-8,12H2,2H3,(H,18,20).
What are the key properties of 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide?
5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 175653288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).