N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

C22H21FN2O3 — CID 42440727

IUPACN-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-25-14-21(28-15-17-5-3-2-4-6-17)20(26)13-19(25)22(27)24-12-11-16-7-9-18(23)10-8-16/h2-10,13-14H,11-12,15H2,1H3,(H,24,27)
InChIKeyJROADKZPTPNSRU-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 42440727) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
PubChem CID42440727
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-25-14-21(28-15-17-5-3-2-4-6-17)20(26)13-19(25)22(27)24-12-11-16-7-9-18(23)10-8-16/h2-10,13-14H,11-12,15H2,1H3,(H,24,27)
InChIKeyJROADKZPTPNSRU-UHFFFAOYSA-N
XLogP3.08
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-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

{5-(3-Fluoro-benzyl)-2-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10257257
{2-Oxo-6-phenethyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10392960
{5-(4-Fluoro-benzyl)-2-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10393052
{5-Benzyl-2-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10414990
4-(4-fluorobenzyloxy)-1-(4-((propylamino)methyl)phenethyl)pyridin-2(1H)-one
CID 44469273
{6-Benzyl-2-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10030271
{2-Oxo-5-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10052689
1-[4-(Benzylamino)butyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 162666832
AChE/BChE-IN-8
CID 162671445
N-(2-ethoxy-2-phenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 164609717
3-(benzyloxy)-1-(4-fluorobenzyl)-2-methyl-4(1H)-pyridinone
CID 3623031
N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 164613614

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (CID 42440727) is N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is JROADKZPTPNSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-25-14-21(28-15-17-5-3-2-4-6-17)20(26)13-19(25)22(27)24-12-11-16-7-9-18(23)10-8-16/h2-10,13-14H,11-12,15H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 42440727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).