6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid

C14H19N3O4 — CID 83102742

IUPAC6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
SMILESCCCNC(=O)C1COCCN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H19N3O4/c1-2-5-15-13(18)11-9-21-7-6-17(11)12-4-3-10(8-16-12)14(19)20/h3-4,8,11H,2,5-7,9H2,1H3,(H,15,18)(H,19,20)
InChIKeyOLJDRNHBNLIPFX-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.51
Rot. Bonds5

About 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid

6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid (PubChem CID 83102742) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
PubChem CID83102742
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid
SMILESCCCNC(=O)C1COCCN1c1ccc(C(=O)O)cn1
InChIInChI=1S/C14H19N3O4/c1-2-5-15-13(18)11-9-21-7-6-17(11)12-4-3-10(8-16-12)14(19)20/h3-4,8,11H,2,5-7,9H2,1H3,(H,15,18)(H,19,20)
InChIKeyOLJDRNHBNLIPFX-UHFFFAOYSA-N
XLogP0.51
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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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Related Compounds

4-[5-(aminomethyl)-2-pyridinyl]-N-ethylmorpholine-3-carboxamide
CID 83107123
4-(6-fluoropyridine-3-carbonyl)-N-propylmorpholine-3-carboxamide
CID 83098188
4-[6-(1-hydroxyethyl)-3-pyridinyl]-N-propylmorpholine-3-carboxamide
CID 83110890
4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 113367388
4-(3-bromo-5-methyl-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 105368068
4-(2-amino-6-hydrazinylpyrimidin-4-yl)-N-propylmorpholine-3-carboxamide
CID 83104525
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
4-(3-amino-5-chloro-2-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 83106772
4-[(6-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099251
4-(3,6-dichloro-1,2,4-triazin-5-yl)-N-propylmorpholine-3-carboxamide
CID 83103198
4-(2-amino-3-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 104717015
4-(5-bromo-2-cyanophenyl)-N-propylmorpholine-3-carboxamide
CID 114902124

Frequently Asked Questions

What is the IUPAC name of 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid (CID 83102742) is 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid is CCCNC(=O)C1COCCN1c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is OLJDRNHBNLIPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-5-15-13(18)11-9-21-7-6-17(11)12-4-3-10(8-16-12)14(19)20/h3-4,8,11H,2,5-7,9H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid?
6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(propylcarbamoyl)morpholin-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 83102742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).