5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid

C13H17N3O5 — CID 81197548

IUPAC5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC1COC(CO)CN1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-8-7-21-11(6-17)5-16(8)13(20)15-10-2-9(12(18)19)3-14-4-10/h2-4,8,11,17H,5-7H2,1H3,(H,15,20)(H,18,19)
InChIKeyGKFVYBKIIJODEL-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.39
Rot. Bonds3

About 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid

5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 81197548) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID81197548
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCC1COC(CO)CN1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O5/c1-8-7-21-11(6-17)5-16(8)13(20)15-10-2-9(12(18)19)3-14-4-10/h2-4,8,11,17H,5-7H2,1H3,(H,15,20)(H,18,19)
InChIKeyGKFVYBKIIJODEL-UHFFFAOYSA-N
XLogP0.39
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-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

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203700
5-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157861
5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63157945
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 112626767
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
CID 81217697
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
N-(2-chlorophenyl)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxamide
CID 81218679
5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)pyridine-3-carboxylic acid
CID 66371481
5-[(2-carbamoylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157950
3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 81204807
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid (CID 81197548) is 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid is CC1COC(CO)CN1C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is GKFVYBKIIJODEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8-7-21-11(6-17)5-16(8)13(20)15-10-2-9(12(18)19)3-14-4-10/h2-4,8,11,17H,5-7H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid?
5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81197548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).