3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid

C13H17N3O4 — CID 104743315

IUPAC3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCCC1COCCN1C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-2-9-8-20-7-6-16(9)13(19)15-10-4-3-5-14-11(10)12(17)18/h3-5,9H,2,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyIDGZQWQAZBTSNO-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.42
Rot. Bonds3

About 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid

3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 104743315) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID104743315
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCCC1COCCN1C(=O)Nc1cccnc1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-2-9-8-20-7-6-16(9)13(19)15-10-4-3-5-14-11(10)12(17)18/h3-5,9H,2,6-8H2,1H3,(H,15,19)(H,17,18)
InChIKeyIDGZQWQAZBTSNO-UHFFFAOYSA-N
XLogP1.42
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
(3R)-N-(2-ethoxy-3-pyridinyl)-3-methylmorpholine-4-carboxamide
CID 94170218
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521157
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
N-(2-bromo-4-methoxyphenyl)-3-ethylmorpholine-4-carboxamide
CID 75374576
3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 104743147
5-[(3-ethylmorpholine-4-carbonyl)amino]-2-fluorobenzoic acid
CID 61202010
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
(3S)-3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 96995653
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]morpholine-4-carboxamide
CID 138042517
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 103536527

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid (CID 104743315) is 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid is CCC1COCCN1C(=O)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is IDGZQWQAZBTSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-2-9-8-20-7-6-16(9)13(19)15-10-4-3-5-14-11(10)12(17)18/h3-5,9H,2,6-8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).