3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C11H13N3O2 — CID 39121627

IUPAC3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN(C)Cc1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C11H13N3O2/c1-13(2)7-8-10(11(15)16)12-9-5-3-4-6-14(8)9/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyHGHMWOBOIXPOEE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.09
Rot. Bonds3

About 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 39121627) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID39121627
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCN(C)Cc1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C11H13N3O2/c1-13(2)7-8-10(11(15)16)12-9-5-3-4-6-14(8)9/h3-6H,7H2,1-2H3,(H,15,16)
InChIKeyHGHMWOBOIXPOEE-UHFFFAOYSA-N
XLogP1.09
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121631
3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82530096
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95553938
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
N-benzyl-3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56862917
3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 22335044
N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26394218
N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56715082
N-benzyl-N-methyl-3-[[[(1R)-1-phenylethyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42513074
3-[(2-ethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82029007

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 39121627) is 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is CN(C)Cc1c(C(=O)O)nc2ccccn12.
What is the InChIKey of 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is HGHMWOBOIXPOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-13(2)7-8-10(11(15)16)12-9-5-3-4-6-14(8)9/h3-6H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 39121627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).