5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid

C14H19N3O4 — CID 104638974

IUPAC5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)C1COCCN1c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O4/c1-9(2)16-13(18)12-8-21-6-5-17(12)10-3-4-11(14(19)20)15-7-10/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPAZAATJAWVQIOX-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.51
Rot. Bonds4

About 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid

5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid (PubChem CID 104638974) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
PubChem CID104638974
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)C1COCCN1c1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O4/c1-9(2)16-13(18)12-8-21-6-5-17(12)10-3-4-11(14(19)20)15-7-10/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPAZAATJAWVQIOX-UHFFFAOYSA-N
XLogP0.51
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid (CID 104638974) is 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid is CC(C)NC(=O)C1COCCN1c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid?
The InChIKey is PAZAATJAWVQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)16-13(18)12-8-21-6-5-17(12)10-3-4-11(14(19)20)15-7-10/h3-4,7,9,12H,5-6,8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid?
5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 104638974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).