N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide

C11H16FN3O — CID 63693462

IUPACN-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H16FN3O/c1-14(2)6-7-15(3)11(16)9-4-5-13-10(12)8-9/h4-5,8H,6-7H2,1-3H3
InChIKeyZVFRHULRUHFTSK-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.85
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 63693462) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
PubChem CID63693462
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H16FN3O/c1-14(2)6-7-15(3)11(16)9-4-5-13-10(12)8-9/h4-5,8H,6-7H2,1-3H3
InChIKeyZVFRHULRUHFTSK-UHFFFAOYSA-N
XLogP0.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide 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

2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 60565522
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63207878
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
CID 61292713
N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
CID 61293660
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoropyridine-4-carboxamide
CID 103101741

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide (CID 63693462) is N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide is CN(C)CCN(C)C(=O)c1ccnc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is ZVFRHULRUHFTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-14(2)6-7-15(3)11(16)9-4-5-13-10(12)8-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 225.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 63693462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).