4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid

C10H14N2O4 — CID 81243923

IUPAC4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
SMILESCOCC(O)CNc1ccncc1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-16-6-7(13)4-12-9-2-3-11-5-8(9)10(14)15/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyRGCVNQGOFZGELB-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.20
Rot. Bonds6

About 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid

4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid (PubChem CID 81243923) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
PubChem CID81243923
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid
SMILESCOCC(O)CNc1ccncc1C(=O)O
InChIInChI=1S/C10H14N2O4/c1-16-6-7(13)4-12-9-2-3-11-5-8(9)10(14)15/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyRGCVNQGOFZGELB-UHFFFAOYSA-N
XLogP0.20
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
2-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxybenzoic acid
CID 81309534
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-(2-hydroxypentylamino)pyridine-3-carboxamide
CID 133454771
3-[(2-hydroxy-3-methoxypropyl)amino]-2-nitrobenzoic acid
CID 113332097
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
CID 164651998
4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide
CID 133469940
6-[(2-hydroxy-3-methoxypropyl)amino]pyrazine-2-carboxylic acid
CID 66449168
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid (CID 81243923) is 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid is COCC(O)CNc1ccncc1C(=O)O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid?
The InChIKey is RGCVNQGOFZGELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-16-6-7(13)4-12-9-2-3-11-5-8(9)10(14)15/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid?
4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxypropyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).