1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide

C23H24ClN3O3S — CID 24622246

IUPAC1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C23H24ClN3O3S/c24-19-5-2-1-4-17(19)15-27-16-18(7-8-22(27)28)23(29)25-14-20(21-6-3-13-31-21)26-9-11-30-12-10-26/h1-8,13,16,20H,9-12,14-15H2,(H,25,29)
InChIKeyGAKNEDHSJTWUFU-UHFFFAOYSA-N
MW457.98 g/mol
LogP3.41
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide (PubChem CID 24622246) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide
PubChem CID24622246
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C23H24ClN3O3S/c24-19-5-2-1-4-17(19)15-27-16-18(7-8-22(27)28)23(29)25-14-20(21-6-3-13-31-21)26-9-11-30-12-10-26/h1-8,13,16,20H,9-12,14-15H2,(H,25,29)
InChIKeyGAKNEDHSJTWUFU-UHFFFAOYSA-N
XLogP3.41
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-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

6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 31334942
4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17405220
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide (CID 24622246) is 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide is O=C(NCC(c1cccs1)N1CCOCC1)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is GAKNEDHSJTWUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c24-19-5-2-1-4-17(19)15-27-16-18(7-8-22(27)28)23(29)25-14-20(21-6-3-13-31-21)26-9-11-30-12-10-26/h1-8,13,16,20H,9-12,14-15H2,(H,25,29).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 457.98 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 24622246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).