6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid

C15H22N2O3 — CID 122048895

IUPAC6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
SMILESCOCCC1(CNc2cccc(C(=O)O)n2)CCCC1
InChIInChI=1S/C15H22N2O3/c1-20-10-9-15(7-2-3-8-15)11-16-13-6-4-5-12(17-13)14(18)19/h4-6H,2-3,7-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyDJTFGADELWSUGY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.79
Rot. Bonds7

About 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid

6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 122048895) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
PubChem CID122048895
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
SMILESCOCCC1(CNc2cccc(C(=O)O)n2)CCCC1
InChIInChI=1S/C15H22N2O3/c1-20-10-9-15(7-2-3-8-15)11-16-13-6-4-5-12(17-13)14(18)19/h4-6H,2-3,7-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyDJTFGADELWSUGY-UHFFFAOYSA-N
XLogP2.79
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]pyridine-2-carboxylic acid
CID 136548093
6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
6-[2-(1-methylcyclopropyl)ethylamino]pyridine-2-carboxylic acid
CID 122057061
6-[[1-(cyanomethyl)cyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057114
6-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 86282981
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 113342974
6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carboxylic acid
CID 106247946
5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
CID 114112972
6-[(2-methoxy-2-methylbutyl)amino]pyridine-2-carboxylic acid
CID 122057914
6-[(2-cyclopropyl-3-methyloxolan-3-yl)methylamino]pyridine-2-carboxylic acid
CID 122054940
6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 72925090

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid (CID 122048895) is 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid is COCCC1(CNc2cccc(C(=O)O)n2)CCCC1.
What is the InChIKey of 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is DJTFGADELWSUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-10-9-15(7-2-3-8-15)11-16-13-6-4-5-12(17-13)14(18)19/h4-6H,2-3,7-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid?
6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122048895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).