3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

C16H23N3O2 — CID 39121673

IUPAC3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCCN(CCC)Cc1c(C(=O)O)nc2cccc(C)n12
InChIInChI=1S/C16H23N3O2/c1-4-9-18(10-5-2)11-13-15(16(20)21)17-14-8-6-7-12(3)19(13)14/h6-8H,4-5,9-11H2,1-3H3,(H,20,21)
InChIKeyRSKLVZHCZACBAK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.96
Rot. Bonds7

About 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 39121673) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID39121673
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCCCN(CCC)Cc1c(C(=O)O)nc2cccc(C)n12
InChIInChI=1S/C16H23N3O2/c1-4-9-18(10-5-2)11-13-15(16(20)21)17-14-8-6-7-12(3)19(13)14/h6-8H,4-5,9-11H2,1-3H3,(H,20,21)
InChIKeyRSKLVZHCZACBAK-UHFFFAOYSA-N
XLogP2.96
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid (CID 39121673) is 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid is CCCN(CCC)Cc1c(C(=O)O)nc2cccc(C)n12.
What is the InChIKey of 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is RSKLVZHCZACBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-9-18(10-5-2)11-13-15(16(20)21)17-14-8-6-7-12(3)19(13)14/h6-8H,4-5,9-11H2,1-3H3,(H,20,21).
What are the key properties of 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid?
3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dipropylamino)methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 39121673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).