5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid

C12H16ClN3O3 — CID 79071332

IUPAC5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCN1CCOC(CNc2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C12H16ClN3O3/c1-16-2-3-19-9(7-16)6-15-11-10(13)4-8(5-14-11)12(17)18/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyYSSWLJRSIZBJBC-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.18
Rot. Bonds4

About 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid

5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 79071332) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID79071332
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCN1CCOC(CNc2ncc(C(=O)O)cc2Cl)C1
InChIInChI=1S/C12H16ClN3O3/c1-16-2-3-19-9(7-16)6-15-11-10(13)4-8(5-14-11)12(17)18/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyYSSWLJRSIZBJBC-UHFFFAOYSA-N
XLogP1.18
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114401101
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999
5-[(4-methylmorpholin-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 79070897
2-chloro-6-[(4-methylmorpholin-2-yl)methylamino]benzoic acid
CID 79072368
2-[(4-methylmorpholin-2-yl)methylamino]-1,3-benzoxazole-6-carboxylic acid
CID 116691520
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 113432530
5-chloro-6-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methylamino]pyridine-3-carboxylic acid
CID 136552683
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid (CID 79071332) is 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid is CN1CCOC(CNc2ncc(C(=O)O)cc2Cl)C1.
What is the InChIKey of 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is YSSWLJRSIZBJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-16-2-3-19-9(7-16)6-15-11-10(13)4-8(5-14-11)12(17)18/h4-5,9H,2-3,6-7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 285.73 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 79071332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).