N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide

C21H26FN3O2S — CID 56962919

IUPACN-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(SC(C)C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H26FN3O2S/c1-14(2)28-21-19(20(26)23-13-16-5-4-6-17(22)12-16)15(3)11-18(24-21)25-7-9-27-10-8-25/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,23,26)
InChIKeyJQWTXTOYVXSZFK-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.80
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide

N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide (PubChem CID 56962919) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide
PubChem CID56962919
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC NameN-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(SC(C)C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C21H26FN3O2S/c1-14(2)28-21-19(20(26)23-13-16-5-4-6-17(22)12-16)15(3)11-18(24-21)25-7-9-27-10-8-25/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,23,26)
InChIKeyJQWTXTOYVXSZFK-UHFFFAOYSA-N
XLogP3.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-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-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 135406328
2-ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 56952018
2-ethylsulfanyl-N-[(4-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 56962762
N-(4,4-dimethylpentyl)-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963081
2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963160
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-ethylsulfanyl-N-[(3-fluoro-5-methylphenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 71720495
US10975056, Example 510
CID 132232982
US10975056, Example 593
CID 138736405
[2-(4-Fluoro-benzylamino)-pyridin-3-yl]-morpholin-4-yl-methanone
CID 645532
6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 126471590
2-[(2-fluorophenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 3519221

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide (CID 56962919) is N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(SC(C)C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
The InChIKey is JQWTXTOYVXSZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-14(2)28-21-19(20(26)23-13-16-5-4-6-17(22)12-16)15(3)11-18(24-21)25-7-9-27-10-8-25/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,23,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-methyl-6-morpholin-4-yl-2-propan-2-ylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 56962919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).