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

C14H19N3O2 — CID 39121631

IUPAC3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCCCN(C)Cc1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C14H19N3O2/c1-3-4-8-16(2)10-11-13(14(18)19)15-12-7-5-6-9-17(11)12/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyIDZOLQYRWFLPIS-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.26
Rot. Bonds6

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

3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 39121631) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID39121631
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCCCN(C)Cc1c(C(=O)O)nc2ccccn12
InChIInChI=1S/C14H19N3O2/c1-3-4-8-16(2)10-11-13(14(18)19)15-12-7-5-6-9-17(11)12/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyIDZOLQYRWFLPIS-UHFFFAOYSA-N
XLogP2.26
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
N-butyl-N-methyl-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 25286754
4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 92858211
N-benzyl-3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 95553938
[2-[butyl(methyl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478072
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
CID 3916899
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
N-benzyl-N-methyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 26394218
N-butyl-3-[[(4-methoxyphenyl)methylamino]methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 42528435
1-N-benzyl-3-N-butyl-1-N,3-N-dimethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070445
3-(bromomethyl)-N-methyl-N-pentylimidazo[1,2-a]pyridin-2-amine
CID 107080119

Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 39121631) is 3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is CCCCN(C)Cc1c(C(=O)O)nc2ccccn12.
What is the InChIKey of 3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is IDZOLQYRWFLPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-8-16(2)10-11-13(14(18)19)15-12-7-5-6-9-17(11)12/h5-7,9H,3-4,8,10H2,1-2H3,(H,18,19).
What are the key properties of 3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 39121631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).