6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid

C13H20N2O3 — CID 114145368

IUPAC6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
SMILESCCCC(CCO)CNc1cccc(C(=O)O)n1
InChIInChI=1S/C13H20N2O3/c1-2-4-10(7-8-16)9-14-12-6-3-5-11(15-12)13(17)18/h3,5-6,10,16H,2,4,7-9H2,1H3,(H,14,15)(H,17,18)
InChIKeyXTNGYFWRDSMOSJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.99
Rot. Bonds8

About 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid

6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid (PubChem CID 114145368) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
PubChem CID114145368
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
SMILESCCCC(CCO)CNc1cccc(C(=O)O)n1
InChIInChI=1S/C13H20N2O3/c1-2-4-10(7-8-16)9-14-12-6-3-5-11(15-12)13(17)18/h3,5-6,10,16H,2,4,7-9H2,1H3,(H,14,15)(H,17,18)
InChIKeyXTNGYFWRDSMOSJ-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

6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
6-[(5-hydroxy-3-methylpentyl)amino]pyridine-2-carboxylic acid
CID 122057794
6-[[(2-ethyl-4-hydroxybutyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904840
6-(4-hydroxyhexylamino)pyridine-2-carboxylic acid
CID 122053976
3-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 106115965
6-(hex-1-yn-3-ylamino)pyridine-2-carboxylic acid
CID 106231059
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
6-[[4-methyl-2-(1-phenylethylamino)pentyl]amino]pyridine-2-carboxylic acid
CID 122053761
N-methyl-N-pentan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 55052478

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid (CID 114145368) is 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid is CCCC(CCO)CNc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid?
The InChIKey is XTNGYFWRDSMOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-4-10(7-8-16)9-14-12-6-3-5-11(15-12)13(17)18/h3,5-6,10,16H,2,4,7-9H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid?
6-[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 6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114145368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).