3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid

C16H23N3O2 — CID 39121793

IUPAC3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCN(Cc1c(C(=O)O)nc2ccc(C)cn12)C(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-6-18(16(3,4)5)10-12-14(15(20)21)17-13-8-7-11(2)9-19(12)13/h7-9H,6,10H2,1-5H3,(H,20,21)
InChIKeyKKYKBXUQSKNXIH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.96
Rot. Bonds4

About 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid

3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 39121793) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID39121793
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCN(Cc1c(C(=O)O)nc2ccc(C)cn12)C(C)(C)C
InChIInChI=1S/C16H23N3O2/c1-6-18(16(3,4)5)10-12-14(15(20)21)17-13-8-7-11(2)9-19(12)13/h7-9H,6,10H2,1-5H3,(H,20,21)
InChIKeyKKYKBXUQSKNXIH-UHFFFAOYSA-N
XLogP2.96
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[[tert-butyl(ethyl)amino]methyl]-6-nitroimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39120355
6-amino-3-ethylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 118879739
2-(2-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82530312
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 39121901
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2-butan-2-yl-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 115405211
3-[(dimethylamino)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121627
N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;oxalic acid
CID 175437042
2-[6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39119804
2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39119717

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 39121793) is 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid is CCN(Cc1c(C(=O)O)nc2ccc(C)cn12)C(C)(C)C.
What is the InChIKey of 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is KKYKBXUQSKNXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-6-18(16(3,4)5)10-12-14(15(20)21)17-13-8-7-11(2)9-19(12)13/h7-9H,6,10H2,1-5H3,(H,20,21).
What are the key properties of 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 39121793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).