6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide

C15H17FN2O2 — CID 115497521

IUPAC6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cccc(F)n2)C(C)C)o1
InChIInChI=1S/C15H17FN2O2/c1-10(2)18(9-12-8-7-11(3)20-12)15(19)13-5-4-6-14(16)17-13/h4-8,10H,9H2,1-3H3
InChIKeyOYSCBTHEASDAQC-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.17
Rot. Bonds4

About 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide

6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 115497521) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID115497521
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cccc(F)n2)C(C)C)o1
InChIInChI=1S/C15H17FN2O2/c1-10(2)18(9-12-8-7-11(3)20-12)15(19)13-5-4-6-14(16)17-13/h4-8,10H,9H2,1-3H3
InChIKeyOYSCBTHEASDAQC-UHFFFAOYSA-N
XLogP3.17
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

7-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 118708600
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
6-bromo-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 66463920
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 63859047
2-amino-5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
CID 107074573
6-bromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 103875027
phenyl N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcarbamate
CID 61068434
2-fluoro-N-[(5-methylfuran-2-yl)methyl]-5-(methylsulfamoyl)-N-propan-2-ylbenzamide
CID 51124455
5-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 118708596
2-methyl-2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 62847266
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpentanamide
CID 82011876

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide (CID 115497521) is 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide is Cc1ccc(CN(C(=O)c2cccc(F)n2)C(C)C)o1.
What is the InChIKey of 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is OYSCBTHEASDAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10(2)18(9-12-8-7-11(3)20-12)15(19)13-5-4-6-14(16)17-13/h4-8,10H,9H2,1-3H3.
What are the key properties of 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide?
6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 115497521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).