N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C11H19FN2O — CID 126790709

IUPACN-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCCN(C(=O)NCCC(C)F)C1
InChIInChI=1S/C11H19FN2O/c1-9-4-3-7-14(8-9)11(15)13-6-5-10(2)12/h4,10H,3,5-8H2,1-2H3,(H,13,15)
InChIKeyHJEKNGQMVVTVTH-UHFFFAOYSA-N
MW214.28 g/mol
LogP2.10
Rot. Bonds3

About N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 126790709) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID126790709
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC NameN-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCCN(C(=O)NCCC(C)F)C1
InChIInChI=1S/C11H19FN2O/c1-9-4-3-7-14(8-9)11(15)13-6-5-10(2)12/h4,10H,3,5-8H2,1-2H3,(H,13,15)
InChIKeyHJEKNGQMVVTVTH-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 126790709) is N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCCN(C(=O)NCCC(C)F)C1.
What is the InChIKey of N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is HJEKNGQMVVTVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-9-4-3-7-14(8-9)11(15)13-6-5-10(2)12/h4,10H,3,5-8H2,1-2H3,(H,13,15).
What are the key properties of N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 214.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 126790709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).