6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid

C13H18N2O3 — CID 136548093

IUPAC6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC2(CCO)CCC2)n1
InChIInChI=1S/C13H18N2O3/c16-8-7-13(5-2-6-13)9-14-11-4-1-3-10(15-11)12(17)18/h1,3-4,16H,2,5-9H2,(H,14,15)(H,17,18)
InChIKeyFAEJZZNSSXVZOD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.74
Rot. Bonds6

About 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid

6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 136548093) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
PubChem CID136548093
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCC2(CCO)CCC2)n1
InChIInChI=1S/C13H18N2O3/c16-8-7-13(5-2-6-13)9-14-11-4-1-3-10(15-11)12(17)18/h1,3-4,16H,2,5-9H2,(H,14,15)(H,17,18)
InChIKeyFAEJZZNSSXVZOD-UHFFFAOYSA-N
XLogP1.74
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 122048895
6-[[1-(cyanomethyl)cyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057114
6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]quinoline-4-carboxylic acid
CID 114756945
6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyrazine-2-carboxamide
CID 133496605
6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid
CID 122054940
6-[(4-hydroxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 66107956
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(ethylamino)pyridine-2-carboxamide
CID 105420344
6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 114145368
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
6-(2-cyclohexylethylamino)pyridine-2-carboxylic acid
CID 55053035

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid (CID 136548093) is 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCC2(CCO)CCC2)n1.
What is the InChIKey of 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is FAEJZZNSSXVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-8-7-13(5-2-6-13)9-14-11-4-1-3-10(15-11)12(17)18/h1,3-4,16H,2,5-9H2,(H,14,15)(H,17,18).
What are the key properties of 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid?
6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 136548093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).