6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid

C10H13N3O4 — CID 106178072

IUPAC6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
SMILESNC(=O)C(O)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C10H13N3O4/c11-9(15)8(14)5-12-4-6-2-1-3-7(13-6)10(16)17/h1-3,8,12,14H,4-5H2,(H2,11,15)(H,16,17)
InChIKeyLIHSEOSILAOOAU-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.28
Rot. Bonds6

About 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid

6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106178072) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID106178072
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid
SMILESNC(=O)C(O)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C10H13N3O4/c11-9(15)8(14)5-12-4-6-2-1-3-7(13-6)10(16)17/h1-3,8,12,14H,4-5H2,(H2,11,15)(H,16,17)
InChIKeyLIHSEOSILAOOAU-UHFFFAOYSA-N
XLogP-1.28
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[[(2-ethyl-4-hydroxybutyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904840
6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904907
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid
CID 106904972
3-[(2,6-dichlorophenyl)methylamino]-2-hydroxypropanamide
CID 106170892
2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
6-[[(4-amino-4-oxobutan-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 106905000
6-[[(3-fluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904432
6-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-2-carboxylic acid
CID 114169680
6-[[(2,4-difluorophenyl)methylamino]methyl]pyridine-2-carboxylic acid
CID 106904640

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid (CID 106178072) is 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid is NC(=O)C(O)CNCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is LIHSEOSILAOOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c11-9(15)8(14)5-12-4-6-2-1-3-7(13-6)10(16)17/h1-3,8,12,14H,4-5H2,(H2,11,15)(H,16,17).
What are the key properties of 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid?
6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106178072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).