3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid

C13H20N2O3 — CID 106115965

IUPAC3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
SMILESCCCC(CCO)CNc1cccnc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-2-4-10(6-8-16)9-15-11-5-3-7-14-12(11)13(17)18/h3,5,7,10,15-16H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeyUROMVAPGASBVNM-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.99
Rot. Bonds8

About 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid

3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid (PubChem CID 106115965) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
PubChem CID106115965
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
SMILESCCCC(CCO)CNc1cccnc1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-2-4-10(6-8-16)9-15-11-5-3-7-14-12(11)13(17)18/h3,5,7,10,15-16H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeyUROMVAPGASBVNM-UHFFFAOYSA-N
XLogP1.99
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114078844
3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114145530
3-[[(3-ethoxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115743
6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 114145368
3-chloro-2-[2-(2-hydroxyethyl)pentylamino]pyridine-4-carboxylic acid
CID 114145424
3-[[(2-nitro-3-pyridinyl)amino]methyl]pentan-1-ol
CID 112698378
3-[(2-propylsulfonylanilino)methyl]hexan-1-ol
CID 106115691
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
3-(octan-4-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 106020390
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
3-(ethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740614

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid (CID 106115965) is 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid is CCCC(CCO)CNc1cccnc1C(=O)O.
What is the InChIKey of 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid?
The InChIKey is UROMVAPGASBVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-4-10(6-8-16)9-15-11-5-3-7-14-12(11)13(17)18/h3,5,7,10,15-16H,2,4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid?
3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106115965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).