4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide

C16H18FN3O — CID 60704565

IUPAC4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(=O)N(C)C)c1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(12-4-6-13(17)7-5-12)19-14-8-9-18-15(10-14)16(21)20(2)3/h4-11H,1-3H3,(H,18,19)
InChIKeyZBDSLZANHNBMOH-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.10
Rot. Bonds4

About 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide

4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 60704565) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID60704565
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(Nc1ccnc(C(=O)N(C)C)c1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(12-4-6-13(17)7-5-12)19-14-8-9-18-15(10-14)16(21)20(2)3/h4-11H,1-3H3,(H,18,19)
InChIKeyZBDSLZANHNBMOH-UHFFFAOYSA-N
XLogP3.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-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

N,N-dimethyl-4-(1-pyridin-2-ylethylamino)pyridine-2-carboxamide
CID 43397218
N,N-dimethyl-4-(1-thiophen-2-ylethylamino)pyridine-2-carboxamide
CID 43402714
N,N-dimethyl-4-[1-(5-methylthiophen-2-yl)ethylamino]pyridine-2-carboxamide
CID 61474383
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
4-(dicyclopropylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61482684
4-[(2-hydroxy-1-phenylethyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63182907
4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 106357616
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109210768

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide (CID 60704565) is 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide is CC(Nc1ccnc(C(=O)N(C)C)c1)c1ccc(F)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is ZBDSLZANHNBMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(12-4-6-13(17)7-5-12)19-14-8-9-18-15(10-14)16(21)20(2)3/h4-11H,1-3H3,(H,18,19).
What are the key properties of 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide?
4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 60704565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).