4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride

C9H15FN2O — CID 59110317

IUPAC4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride
SMILESCCC1=CCN(C(=O)F)CC1NC
InChIInChI=1S/C9H15FN2O/c1-3-7-4-5-12(9(10)13)6-8(7)11-2/h4,8,11H,3,5-6H2,1-2H3
InChIKeyDWGCFWRVDMQANY-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.32
Rot. Bonds2

About 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride

4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride (PubChem CID 59110317) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride
PubChem CID59110317
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride
SMILESCCC1=CCN(C(=O)F)CC1NC
InChIInChI=1S/C9H15FN2O/c1-3-7-4-5-12(9(10)13)6-8(7)11-2/h4,8,11H,3,5-6H2,1-2H3
InChIKeyDWGCFWRVDMQANY-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
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 ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride 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

N-[2-(methylamino)-3-methylidenepentyl]-N-prop-2-enylcarbamoyl fluoride
CID 59110299
N-[(4Z,6R)-6-fluoro-2-methyl-4-(propylaminomethyl)hepta-1,4-dien-3-yl]formamide
CID 167034520
N-[6-methyl-1-(2,2,2-trifluoroethyl)-2,3,4,7-tetrahydroazepin-3-yl]formamide
CID 143562719
1-Ethyl-1,2,3,6-tetrahydro-4-[1-acetamidoethyl]pyridine
CID 284785
1-Methyl-1,2,3,6-tetrahydro-4-[1-acetylaminoethyl]pyridine
CID 565875
N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide
CID 117848933
N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl)acetamide
CID 117936462
1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 123718960
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane
CID 142314326
1-butyl-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]urea
CID 122136634
1-butyl-3-[(1R)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]urea
CID 124294576
1-butyl-3-[(1S)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl]urea
CID 124294577

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride?
The IUPAC name of 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride (CID 59110317) is 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride.
What is the SMILES notation for 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride?
The canonical SMILES for 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride is CCC1=CCN(C(=O)F)CC1NC.
What is the InChIKey of 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride?
The InChIKey is DWGCFWRVDMQANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c1-3-7-4-5-12(9(10)13)6-8(7)11-2/h4,8,11H,3,5-6H2,1-2H3.
What are the key properties of 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride?
4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride has a molecular weight of 186.23 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride is sourced from PubChem (CID 59110317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).