1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid

C18H19ClN2O4 — CID 124956966

IUPAC1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1
InChIInChI=1S/C18H19ClN2O4/c19-15-4-1-13(2-5-15)16(20-7-9-25-10-8-20)12-21-11-14(18(23)24)3-6-17(21)22/h1-6,11,16H,7-10,12H2,(H,23,24)/t16-/m1/s1
InChIKeyFVIDUENFUQQZBZ-MRXNPFEDSA-N
MW362.81 g/mol
LogP2.27
Rot. Bonds5

About 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid

1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 124956966) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID124956966
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1
InChIInChI=1S/C18H19ClN2O4/c19-15-4-1-13(2-5-15)16(20-7-9-25-10-8-20)12-21-11-14(18(23)24)3-6-17(21)22/h1-6,11,16H,7-10,12H2,(H,23,24)/t16-/m1/s1
InChIKeyFVIDUENFUQQZBZ-MRXNPFEDSA-N
XLogP2.27
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid 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-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 60596930
4-[chloro(morpholin-4-yl)methyl]benzoic acid
CID 174920525
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
1-(4-chlorophenyl)-2-morpholin-4-yl-2-phenylethanone
CID 71319479
3-(4-chloro-3-fluorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64528321
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
3-(3,5-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64526353

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid (CID 124956966) is 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1.
What is the InChIKey of 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is FVIDUENFUQQZBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c19-15-4-1-13(2-5-15)16(20-7-9-25-10-8-20)12-21-11-14(18(23)24)3-6-17(21)22/h1-6,11,16H,7-10,12H2,(H,23,24)/t16-/m1/s1.
What are the key properties of 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid?
1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 362.81 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 124956966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).