5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid

C12H17N3O3 — CID 115490999

IUPAC5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCN1CCOC(CNc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C12H17N3O3/c1-15-4-5-18-10(8-15)7-13-9-2-3-11(12(16)17)14-6-9/h2-3,6,10,13H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyWWSUCFNMOSAHRU-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.52
Rot. Bonds4

About 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid

5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 115490999) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID115490999
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCN1CCOC(CNc2ccc(C(=O)O)nc2)C1
InChIInChI=1S/C12H17N3O3/c1-15-4-5-18-10(8-15)7-13-9-2-3-11(12(16)17)14-6-9/h2-3,6,10,13H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyWWSUCFNMOSAHRU-UHFFFAOYSA-N
XLogP0.52
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 79070897
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926
2-amino-5-[(4-methylmorpholin-2-yl)methylamino]benzamide
CID 79071800
5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 79071332
6-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxamide
CID 131896641
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-(cyclopropylmethyl)-5-fluoro-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pyridine-2-carboxamide
CID 129478828
4-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 133443007
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
3-chloro-4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 83107478
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79172087
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
CID 79072368

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid (CID 115490999) is 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid is CN1CCOC(CNc2ccc(C(=O)O)nc2)C1.
What is the InChIKey of 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is WWSUCFNMOSAHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15-4-5-18-10(8-15)7-13-9-2-3-11(12(16)17)14-6-9/h2-3,6,10,13H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid?
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).