2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide

C19H23FN2O2 — CID 86967829

IUPAC2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide
SMILESCCCN(CCc1cccc(F)c1)C(=O)c1ccnc(OCC)c1
InChIInChI=1S/C19H23FN2O2/c1-3-11-22(12-9-15-6-5-7-17(20)13-15)19(23)16-8-10-21-18(14-16)24-4-2/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3
InChIKeyMDHPMYJRXCYODH-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.71
Rot. Bonds8

About 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide

2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide (PubChem CID 86967829) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide
PubChem CID86967829
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide
SMILESCCCN(CCc1cccc(F)c1)C(=O)c1ccnc(OCC)c1
InChIInChI=1S/C19H23FN2O2/c1-3-11-22(12-9-15-6-5-7-17(20)13-15)19(23)16-8-10-21-18(14-16)24-4-2/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3
InChIKeyMDHPMYJRXCYODH-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-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

4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-propylbenzamide
CID 119325474
2-ethoxy-N-[2-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 86967702
2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110165390
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
3-[(2-ethoxy-4-pyridinyl)methyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78889802
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
3-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylbutanamide;hydrochloride
CID 120500930
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119786800
ethyl 2-[(2-fluoropyridine-4-carbonyl)-propylamino]acetate
CID 55007165
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
1-amino-N-[2-(3-fluorophenyl)ethyl]-N-propylcyclopentane-1-carboxamide;hydrochloride
CID 119325475
2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride
CID 119786850

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide (CID 86967829) is 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide is CCCN(CCc1cccc(F)c1)C(=O)c1ccnc(OCC)c1.
What is the InChIKey of 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide?
The InChIKey is MDHPMYJRXCYODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-3-11-22(12-9-15-6-5-7-17(20)13-15)19(23)16-8-10-21-18(14-16)24-4-2/h5-8,10,13-14H,3-4,9,11-12H2,1-2H3.
What are the key properties of 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide?
2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(3-fluorophenyl)ethyl]-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 86967829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).