6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid

C19H21N3O4 — CID 121495695

IUPAC6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)nc1
InChIInChI=1S/C19H21N3O4/c23-18(20-6-7-22-8-10-26-11-9-22)15-3-1-2-14(12-15)17-5-4-16(13-21-17)19(24)25/h1-5,12-13H,6-11H2,(H,20,23)(H,24,25)
InChIKeyPWJISOHMXKKPCH-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.51
Rot. Bonds6

About 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid

6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 121495695) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
PubChem CID121495695
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)nc1
InChIInChI=1S/C19H21N3O4/c23-18(20-6-7-22-8-10-26-11-9-22)15-3-1-2-14(12-15)17-5-4-16(13-21-17)19(24)25/h1-5,12-13H,6-11H2,(H,20,23)(H,24,25)
InChIKeyPWJISOHMXKKPCH-UHFFFAOYSA-N
XLogP1.51
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[3-(2-morpholin-4-ylethylcarbamoyl)anilino]-1,3-oxazol-5-yl]benzoic acid
CID 166108164
3-imidazo[1,2-b]pyridazin-3-yl-N-(2-morpholin-4-ylethyl)benzamide
CID 122562053
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
3-(2-methylquinolin-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118779645
3-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 118781591
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)pyridine-4-carboxamide
CID 117093186
N-(3-morpholin-4-ylpropyl)-3-[(6-phenylpyrimidin-4-yl)amino]benzamide
CID 50783731
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
3-(1-benzothiophen-3-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 117085245
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 56951245

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid (CID 121495695) is 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cccc(C(=O)NCCN3CCOCC3)c2)nc1.
What is the InChIKey of 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is PWJISOHMXKKPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-18(20-6-7-22-8-10-26-11-9-22)15-3-1-2-14(12-15)17-5-4-16(13-21-17)19(24)25/h1-5,12-13H,6-11H2,(H,20,23)(H,24,25).
What are the key properties of 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid?
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 121495695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).