6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid

C13H18N2O3 — CID 81243694

IUPAC6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCC2(C)CCCO2)c(C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-9-6-11(10(7-14-9)12(16)17)15-8-13(2)4-3-5-18-13/h6-7H,3-5,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyULEQZKJEUHRWON-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.07
Rot. Bonds4

About 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid

6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 81243694) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID81243694
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCC2(C)CCCO2)c(C(=O)O)cn1
InChIInChI=1S/C13H18N2O3/c1-9-6-11(10(7-14-9)12(16)17)15-8-13(2)4-3-5-18-13/h6-7H,3-5,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyULEQZKJEUHRWON-UHFFFAOYSA-N
XLogP2.07
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-6-methyl-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-carboxamide
CID 81245640
6-methyl-4-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114125756
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 104762255
2-amino-3-[(2-methyloxolan-2-yl)methylamino]benzoic acid
CID 115546585
5-amino-6-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81438945
6-methyl-4-(oxan-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81243824
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
2-bromo-6-[(2-methyloxolan-2-yl)methylamino]benzoic acid
CID 114888341
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid (CID 81243694) is 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid is Cc1cc(NCC2(C)CCCO2)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is ULEQZKJEUHRWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-11(10(7-14-9)12(16)17)15-8-13(2)4-3-5-18-13/h6-7H,3-5,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid?
6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(2-methyloxolan-2-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81243694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).