6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid

C12H13N3O5 — CID 83096346

IUPAC6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
SMILESNC(=O)C1COCCN1C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H13N3O5/c13-10(16)9-6-20-4-3-15(9)11(17)8-2-1-7(5-14-8)12(18)19/h1-2,5,9H,3-4,6H2,(H2,13,16)(H,18,19)
InChIKeyWHFKQXYYZWYGKI-UHFFFAOYSA-N
MW279.25 g/mol
LogP-0.89
Rot. Bonds3

About 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid

6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid (PubChem CID 83096346) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
PubChem CID83096346
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
SMILESNC(=O)C1COCCN1C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C12H13N3O5/c13-10(16)9-6-20-4-3-15(9)11(17)8-2-1-7(5-14-8)12(18)19/h1-2,5,9H,3-4,6H2,(H2,13,16)(H,18,19)
InChIKeyWHFKQXYYZWYGKI-UHFFFAOYSA-N
XLogP-0.89
TPSA122.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
CID 102852003
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
4-(6-bromopyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 66462467
4-[5-(aminomethyl)pyridine-2-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83096787
4-(5-bromopyridine-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83100375
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187
1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
4-(5-amino-1H-pyrazole-4-carbonyl)morpholine-3-carboxamide
CID 83096092
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102689

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid (CID 83096346) is 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid is NC(=O)C1COCCN1C(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is WHFKQXYYZWYGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c13-10(16)9-6-20-4-3-15(9)11(17)8-2-1-7(5-14-8)12(18)19/h1-2,5,9H,3-4,6H2,(H2,13,16)(H,18,19).
What are the key properties of 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid?
6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 279.25 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 83096346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).