6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide

C15H22FN3O — CID 63978585

IUPAC6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(F)nc2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-8-19-9-6-13(7-10-19)18(2)15(20)12-4-5-14(16)17-11-12/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyIZEUBNQVWBVRLN-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.17
Rot. Bonds4

About 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide

6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide (PubChem CID 63978585) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
PubChem CID63978585
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
SMILESCCCN1CCC(N(C)C(=O)c2ccc(F)nc2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-8-19-9-6-13(7-10-19)18(2)15(20)12-4-5-14(16)17-11-12/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyIZEUBNQVWBVRLN-UHFFFAOYSA-N
XLogP2.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.17
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-methyl-N-(1-propylpiperidin-4-yl)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 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide (CID 63978585) is 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide is CCCN1CCC(N(C)C(=O)c2ccc(F)nc2)CC1.
What is the InChIKey of 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
The InChIKey is IZEUBNQVWBVRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-8-19-9-6-13(7-10-19)18(2)15(20)12-4-5-14(16)17-11-12/h4-5,11,13H,3,6-10H2,1-2H3.
What are the key properties of 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide?
6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63978585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).