N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C9H15FN2O — CID 130666738

IUPACN-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(CF)NC(=O)N1CC=CCC1
InChIInChI=1S/C9H15FN2O/c1-8(7-10)11-9(13)12-5-3-2-4-6-12/h2-3,8H,4-7H2,1H3,(H,11,13)
InChIKeyAEKVEFYEHRMKMJ-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.32
Rot. Bonds2

About N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 130666738) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID130666738
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC NameN-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(CF)NC(=O)N1CC=CCC1
InChIInChI=1S/C9H15FN2O/c1-8(7-10)11-9(13)12-5-3-2-4-6-12/h2-3,8H,4-7H2,1H3,(H,11,13)
InChIKeyAEKVEFYEHRMKMJ-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-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 N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 130666738) is N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(CF)NC(=O)N1CC=CCC1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is AEKVEFYEHRMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-8(7-10)11-9(13)12-5-3-2-4-6-12/h2-3,8H,4-7H2,1H3,(H,11,13).
What are the key properties of N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 130666738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).