2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid

C16H15N3O4 — CID 11544147

IUPAC2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H15N3O4/c20-14-10-23-9-8-19(14)12-5-3-11(4-6-12)18-15-13(16(21)22)2-1-7-17-15/h1-7H,8-10H2,(H,17,18)(H,21,22)
InChIKeyJRZDQUNFGUAINE-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.89
Rot. Bonds4

About 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid

2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid (PubChem CID 11544147) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
PubChem CID11544147
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C16H15N3O4/c20-14-10-23-9-8-19(14)12-5-3-11(4-6-12)18-15-13(16(21)22)2-1-7-17-15/h1-7H,8-10H2,(H,17,18)(H,21,22)
InChIKeyJRZDQUNFGUAINE-UHFFFAOYSA-N
XLogP1.89
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid (CID 11544147) is 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
The InChIKey is JRZDQUNFGUAINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-14-10-23-9-8-19(14)12-5-3-11(4-6-12)18-15-13(16(21)22)2-1-7-17-15/h1-7H,8-10H2,(H,17,18)(H,21,22).
What are the key properties of 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid?
2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid has a molecular weight of 313.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxomorpholin-4-yl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11544147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).