6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

C17H17N3O2 — CID 167440405

IUPAC6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2ccc3ncc(C(=O)O)n3c2)cc1C
InChIInChI=1S/C17H17N3O2/c1-11-3-4-13(7-12(11)2)8-18-14-5-6-16-19-9-15(17(21)22)20(16)10-14/h3-7,9-10,18H,8H2,1-2H3,(H,21,22)
InChIKeyMUYSLMDJPSPNFJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.26
Rot. Bonds4

About 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 167440405) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID167440405
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2ccc3ncc(C(=O)O)n3c2)cc1C
InChIInChI=1S/C17H17N3O2/c1-11-3-4-13(7-12(11)2)8-18-14-5-6-16-19-9-15(17(21)22)20(16)10-14/h3-7,9-10,18H,8H2,1-2H3,(H,21,22)
InChIKeyMUYSLMDJPSPNFJ-UHFFFAOYSA-N
XLogP3.26
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43786878
N-ethyl-3-prop-1-en-2-ylimidazo[1,2-a]pyridin-6-amine
CID 171796288
N-[(3,4-dimethylphenyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82811109
4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43758536
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[(3,4-dimethylphenyl)methyl]-3-fluoro-4-methylaniline
CID 43764440
5-[(3,4-difluorophenyl)methylamino]pyridine-2-carboxylic acid
CID 115490715
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787752
5-[(2-methoxy-4-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 113321615
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
CID 60961314

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 167440405) is 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1ccc(CNc2ccc3ncc(C(=O)O)n3c2)cc1C.
What is the InChIKey of 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is MUYSLMDJPSPNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-3-4-13(7-12(11)2)8-18-14-5-6-16-19-9-15(17(21)22)20(16)10-14/h3-7,9-10,18H,8H2,1-2H3,(H,21,22).
What are the key properties of 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 167440405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).