4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid

C11H13N3O4 — CID 113385057

IUPAC4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NN1CCOCC1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C11H13N3O4/c15-10(13-14-3-5-18-6-4-14)8-1-2-12-9(7-8)11(16)17/h1-2,7H,3-6H2,(H,13,15)(H,16,17)
InChIKeyRKCZJDASHVLXCG-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.24
Rot. Bonds3

About 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid

4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113385057) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113385057
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(NN1CCOCC1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C11H13N3O4/c15-10(13-14-3-5-18-6-4-14)8-1-2-12-9(7-8)11(16)17/h1-2,7H,3-6H2,(H,13,15)(H,16,17)
InChIKeyRKCZJDASHVLXCG-UHFFFAOYSA-N
XLogP-0.24
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid (CID 113385057) is 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid is O=C(NN1CCOCC1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is RKCZJDASHVLXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-10(13-14-3-5-18-6-4-14)8-1-2-12-9(7-8)11(16)17/h1-2,7H,3-6H2,(H,13,15)(H,16,17).
What are the key properties of 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid?
4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113385057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).