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

C16H15N3O2 — CID 61357955

IUPAC2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2nc3ccccn3c2C(=O)O)cc1
InChIInChI=1S/C16H15N3O2/c1-11-5-7-12(8-6-11)10-17-15-14(16(20)21)19-9-3-2-4-13(19)18-15/h2-9,17H,10H2,1H3,(H,20,21)
InChIKeyCMYCKJHUYVZMHS-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.95
Rot. Bonds4

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

2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61357955) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61357955
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccc(CNc2nc3ccccn3c2C(=O)O)cc1
InChIInChI=1S/C16H15N3O2/c1-11-5-7-12(8-6-11)10-17-15-14(16(20)21)19-9-3-2-4-13(19)18-15/h2-9,17H,10H2,1H3,(H,20,21)
InChIKeyCMYCKJHUYVZMHS-UHFFFAOYSA-N
XLogP2.95
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(prop-2-ynylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357371
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106373032
2-(2,2,2-trifluoroethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358540
2-(2-methylsulfinylethylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 113480060
2-[3-(ethylamino)propylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61404427
2-[(2-methyl-2-methylsulfonylpropyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79559479
2-[(1-methylsulfanylcyclopropyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 114116516
2-[(4-methylphenyl)methylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 46517906
2-(3-methylbutan-2-ylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61359128
2-[(1-hydroxy-3-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 79248840
2-(cyclopropylamino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358153
2-[(4-methyl-3-pyridinyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63327723

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61357955) is 2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1ccc(CNc2nc3ccccn3c2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is CMYCKJHUYVZMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-5-7-12(8-6-11)10-17-15-14(16(20)21)19-9-3-2-4-13(19)18-15/h2-9,17H,10H2,1H3,(H,20,21).
What are the key properties of 2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61357955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).