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

C14H20N2O4 — CID 166305008

IUPAC2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid
SMILESCOC1(CN(C)Cc2cc(C(=O)O)ccn2)CCOC1
InChIInChI=1S/C14H20N2O4/c1-16(9-14(19-2)4-6-20-10-14)8-12-7-11(13(17)18)3-5-15-12/h3,5,7H,4,6,8-10H2,1-2H3,(H,17,18)
InChIKeyGKXUWODBBUMBHP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.02
Rot. Bonds6

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

2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid (PubChem CID 166305008) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid
PubChem CID166305008
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid
SMILESCOC1(CN(C)Cc2cc(C(=O)O)ccn2)CCOC1
InChIInChI=1S/C14H20N2O4/c1-16(9-14(19-2)4-6-20-10-14)8-12-7-11(13(17)18)3-5-15-12/h3,5,7H,4,6,8-10H2,1-2H3,(H,17,18)
InChIKeyGKXUWODBBUMBHP-UHFFFAOYSA-N
XLogP1.02
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 122629206
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid
CID 103555742
2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
CID 113277697
3-[(3-methoxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 104759225
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554
3-fluoro-5-[(3-methoxyoxolan-3-yl)methylamino]benzoic acid
CID 167789164
2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 126755730
2-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-4-carboxylic acid
CID 104762268
2-(2,2,2-trimethoxyethyl)pyridine-4-carboxylic acid
CID 68836420
4-[(3-methoxyoxolan-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 104762255
N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide
CID 104705688
5-chloro-2-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114919956

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid (CID 166305008) is 2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid is COC1(CN(C)Cc2cc(C(=O)O)ccn2)CCOC1.
What is the InChIKey of 2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid?
The InChIKey is GKXUWODBBUMBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16(9-14(19-2)4-6-20-10-14)8-12-7-11(13(17)18)3-5-15-12/h3,5,7H,4,6,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid?
2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxyoxolan-3-yl)methyl-methylamino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 166305008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).