2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid

C19H19N3O5 — CID 122056089

IUPAC2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H19N3O5/c23-17(22-7-9-27-10-8-22)11-13-1-3-15(4-2-13)21-18(24)16-12-14(19(25)26)5-6-20-16/h1-6,12H,7-11H2,(H,21,24)(H,25,26)
InChIKeyLSGZEAJUYICLKC-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.43
Rot. Bonds5

About 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid

2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid (PubChem CID 122056089) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
PubChem CID122056089
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C19H19N3O5/c23-17(22-7-9-27-10-8-22)11-13-1-3-15(4-2-13)21-18(24)16-12-14(19(25)26)5-6-20-16/h1-6,12H,7-11H2,(H,21,24)(H,25,26)
InChIKeyLSGZEAJUYICLKC-UHFFFAOYSA-N
XLogP1.43
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid (CID 122056089) is 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid?
The InChIKey is LSGZEAJUYICLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c23-17(22-7-9-27-10-8-22)11-13-1-3-15(4-2-13)21-18(24)16-12-14(19(25)26)5-6-20-16/h1-6,12H,7-11H2,(H,21,24)(H,25,26).
What are the key properties of 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid?
2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid has a molecular weight of 369.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122056089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).