2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid

C13H18N2O3 — CID 67287490

IUPAC2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCc1nc(N(C)CC2CCCO2)ccc1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9-11(13(16)17)5-6-12(14-9)15(2)8-10-4-3-7-18-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyYLSZEHJYVCYIKI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.70
Rot. Bonds4

About 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid

2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid (PubChem CID 67287490) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
PubChem CID67287490
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
SMILESCc1nc(N(C)CC2CCCO2)ccc1C(=O)O
InChIInChI=1S/C13H18N2O3/c1-9-11(13(16)17)5-6-12(14-9)15(2)8-10-4-3-7-18-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyYLSZEHJYVCYIKI-UHFFFAOYSA-N
XLogP1.70
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 63380171
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
6-methyl-4-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81233414
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
3-fluoro-2-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 62648696
[3-chloro-6-[methyl(oxan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61436346
2-[methyl(oxolan-2-ylmethyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62702531
4-[methyl(oxolan-2-ylmethyl)amino]quinazoline-2-carboxylic acid
CID 63868694
[5-[methyl(oxolan-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 107372756
methyl 5-[methyl(oxolan-2-ylmethyl)amino]pyrazine-2-carboxylate
CID 104696750
4-N,6-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 78928250
2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61432285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid (CID 67287490) is 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid is Cc1nc(N(C)CC2CCCO2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is YLSZEHJYVCYIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-11(13(16)17)5-6-12(14-9)15(2)8-10-4-3-7-18-10/h5-6,10H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid?
2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67287490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).