3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid

C12H16N2O3 — CID 82754485

IUPAC3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccnc1C(=O)O)C1CCOC1
InChIInChI=1S/C12H16N2O3/c1-14(10-4-6-17-8-10)7-9-3-2-5-13-11(9)12(15)16/h2-3,5,10H,4,6-8H2,1H3,(H,15,16)
InChIKeyPOKSVYYLKYQFPJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.00
Rot. Bonds4

About 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid

3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 82754485) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID82754485
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid
SMILESCN(Cc1cccnc1C(=O)O)C1CCOC1
InChIInChI=1S/C12H16N2O3/c1-14(10-4-6-17-8-10)7-9-3-2-5-13-11(9)12(15)16/h2-3,5,10H,4,6-8H2,1H3,(H,15,16)
InChIKeyPOKSVYYLKYQFPJ-UHFFFAOYSA-N
XLogP1.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 63069334
2-[methyl(oxolan-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 82733799
3-[[methyl(oxolan-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 82742607
3-[[cyclopentyl(ethyl)amino]methyl]pyridine-2-carboxylic acid
CID 55146320
N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine
CID 75517964
3-chloro-4-[[methyl(oxolan-3-yl)amino]methyl]benzoic acid
CID 102670020
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine
CID 63558537
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 107523010
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid
CID 104601736
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068120
3-(oxetan-3-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 79327023

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid (CID 82754485) is 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid is CN(Cc1cccnc1C(=O)O)C1CCOC1.
What is the InChIKey of 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is POKSVYYLKYQFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14(10-4-6-17-8-10)7-9-3-2-5-13-11(9)12(15)16/h2-3,5,10H,4,6-8H2,1H3,(H,15,16).
What are the key properties of 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid?
3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxolan-3-yl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 82754485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).