2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide

C15H22FN3O — CID 61292554

IUPAC2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(F)c1)CN1CCCCC1
InChIInChI=1S/C15H22FN3O/c1-12(11-19-7-3-2-4-8-19)10-18-15(20)13-5-6-17-14(16)9-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyCQVANDUNJFPWBI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.07
Rot. Bonds5

About 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide

2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 61292554) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
PubChem CID61292554
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
SMILESCC(CNC(=O)c1ccnc(F)c1)CN1CCCCC1
InChIInChI=1S/C15H22FN3O/c1-12(11-19-7-3-2-4-8-19)10-18-15(20)13-5-6-17-14(16)9-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,18,20)
InChIKeyCQVANDUNJFPWBI-UHFFFAOYSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
3-fluoro-4-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 86824610
4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-2-carboxamide
CID 61051288
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
3-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 115646380
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
CID 54907003
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 62990482
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292410
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 106853640

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide (CID 61292554) is 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide is CC(CNC(=O)c1ccnc(F)c1)CN1CCCCC1.
What is the InChIKey of 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is CQVANDUNJFPWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12(11-19-7-3-2-4-8-19)10-18-15(20)13-5-6-17-14(16)9-13/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide?
2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 61292554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).