3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid

C13H17N3O4 — CID 104743147

IUPAC3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC1CN(C(=O)Nc2cccnc2C(=O)O)CC(C)O1
InChIInChI=1S/C13H17N3O4/c1-8-6-16(7-9(2)20-8)13(19)15-10-4-3-5-14-11(10)12(17)18/h3-5,8-9H,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQIKSNXHOVICKEW-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.42
Rot. Bonds2

About 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid

3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 104743147) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID104743147
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCC1CN(C(=O)Nc2cccnc2C(=O)O)CC(C)O1
InChIInChI=1S/C13H17N3O4/c1-8-6-16(7-9(2)20-8)13(19)15-10-4-3-5-14-11(10)12(17)18/h3-5,8-9H,6-7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyQIKSNXHOVICKEW-UHFFFAOYSA-N
XLogP1.42
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

3-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 103536527
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
2,6-dimethyl-N-(2-phenylphenyl)morpholine-4-carboxamide
CID 23604703
2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
CID 107228275
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79043144
(2R,6S)-N-[4-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51983955
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-fluorobenzoic acid
CID 61186692
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-5-iodobenzoic acid
CID 63111639

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid (CID 104743147) is 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid is CC1CN(C(=O)Nc2cccnc2C(=O)O)CC(C)O1.
What is the InChIKey of 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is QIKSNXHOVICKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-6-16(7-9(2)20-8)13(19)15-10-4-3-5-14-11(10)12(17)18/h3-5,8-9H,6-7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylmorpholine-4-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).