2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

C15H22N4O2 — CID 102993970

IUPAC2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCN(CCCN(C)C)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C15H22N4O2/c1-4-18(10-7-9-17(2)3)14-13(15(20)21)19-11-6-5-8-12(19)16-14/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,20,21)
InChIKeyRYOPEQIGSAWKMX-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.81
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 102993970) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID102993970
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCN(CCCN(C)C)c1nc2ccccn2c1C(=O)O
InChIInChI=1S/C15H22N4O2/c1-4-18(10-7-9-17(2)3)14-13(15(20)21)19-11-6-5-8-12(19)16-14/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,20,21)
InChIKeyRYOPEQIGSAWKMX-UHFFFAOYSA-N
XLogP1.81
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477884
2-(N-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477811
2-[ethyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61434670
2-[1-methoxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61451416
2-[2-cyanopropyl(methyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 54991956
2-[2-hydroxyethyl(propan-2-yl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 54994779
2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477782
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61442386
2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol
CID 54879710
2-[3-(dimethylamino)propyl-ethylamino]-1,3-oxazole-4-carboxylic acid
CID 102993989
2-[methyl(oxolan-2-ylmethyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61432285
N'-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63784281

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 102993970) is 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is CCN(CCCN(C)C)c1nc2ccccn2c1C(=O)O.
What is the InChIKey of 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is RYOPEQIGSAWKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-18(10-7-9-17(2)3)14-13(15(20)21)19-11-6-5-8-12(19)16-14/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-ethylamino]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 102993970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).