5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid

C13H20N4O3 — CID 114401101

IUPAC5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCN1CCOC(CNc2ncc(C(=O)O)cc2N)C1
InChIInChI=1S/C13H20N4O3/c1-2-17-3-4-20-10(8-17)7-16-12-11(14)5-9(6-15-12)13(18)19/h5-6,10H,2-4,7-8,14H2,1H3,(H,15,16)(H,18,19)
InChIKeyPZPGHYXCVSDSTN-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.49
Rot. Bonds5

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

5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114401101) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID114401101
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCN1CCOC(CNc2ncc(C(=O)O)cc2N)C1
InChIInChI=1S/C13H20N4O3/c1-2-17-3-4-20-10(8-17)7-16-12-11(14)5-9(6-15-12)13(18)19/h5-6,10H,2-4,7-8,14H2,1H3,(H,15,16)(H,18,19)
InChIKeyPZPGHYXCVSDSTN-UHFFFAOYSA-N
XLogP0.49
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81440048
5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114400346
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
5-chloro-6-[(4-methylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 79071332
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
methyl 3-amino-4-[(4-ethylmorpholin-2-yl)methylamino]benzoate
CID 114401093
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
4-[(4-ethylmorpholin-2-yl)methylamino]benzamide
CID 79166709
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
3-amino-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114399414
4-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-3,4-diamine
CID 114399235

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid (CID 114401101) is 5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid is CCN1CCOC(CNc2ncc(C(=O)O)cc2N)C1.
What is the InChIKey of 5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is PZPGHYXCVSDSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-17-3-4-20-10(8-17)7-16-12-11(14)5-9(6-15-12)13(18)19/h5-6,10H,2-4,7-8,14H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid?
5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114401101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).