6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

C20H24N4O3 — CID 71292123

IUPAC6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2nc(CN(CC)CC)cn2c1
InChIInChI=1S/C20H24N4O3/c1-4-13-9-16(20(26)27)19(25)22-18(13)14-7-8-17-21-15(12-24(17)10-14)11-23(5-2)6-3/h7-10,12H,4-6,11H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyAFAYQGAQFNKWQG-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.79
Rot. Bonds7

About 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71292123) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71292123
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2nc(CN(CC)CC)cn2c1
InChIInChI=1S/C20H24N4O3/c1-4-13-9-16(20(26)27)19(25)22-18(13)14-7-8-17-21-15(12-24(17)10-14)11-23(5-2)6-3/h7-10,12H,4-6,11H2,1-3H3,(H,22,25)(H,26,27)
InChIKeyAFAYQGAQFNKWQG-UHFFFAOYSA-N
XLogP2.79
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71292123) is 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2nc(CN(CC)CC)cn2c1.
What is the InChIKey of 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is AFAYQGAQFNKWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-13-9-16(20(26)27)19(25)22-18(13)14-7-8-17-21-15(12-24(17)10-14)11-23(5-2)6-3/h7-10,12H,4-6,11H2,1-3H3,(H,22,25)(H,26,27).
What are the key properties of 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylaminomethyl)imidazo[1,2-a]pyridin-6-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71292123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).