3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide

C27H28N4O3 — CID 55457489

IUPAC3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C27H28N4O3/c1-3-14-31(18-26(32)29-24-12-5-4-9-20(24)2)27(33)21-10-8-11-23(16-21)34-19-22-17-30-15-7-6-13-25(30)28-22/h4-13,15-17H,3,14,18-19H2,1-2H3,(H,29,32)
InChIKeyVLNVJBZWNBOFRO-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.71
Rot. Bonds9

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 55457489) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
PubChem CID55457489
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C27H28N4O3/c1-3-14-31(18-26(32)29-24-12-5-4-9-20(24)2)27(33)21-10-8-11-23(16-21)34-19-22-17-30-15-7-6-13-25(30)28-22/h4-13,15-17H,3,14,18-19H2,1-2H3,(H,29,32)
InChIKeyVLNVJBZWNBOFRO-UHFFFAOYSA-N
XLogP4.71
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55457399
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119824790
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(2,4,6-trimethylphenyl)benzamide
CID 78829643
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate
CID 52842387
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 49088051
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
CID 56582654
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 30582719
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[3-(methylamino)propyl]benzamide
CID 119431980

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide (CID 55457489) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is VLNVJBZWNBOFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-3-14-31(18-26(32)29-24-12-5-4-9-20(24)2)27(33)21-10-8-11-23(16-21)34-19-22-17-30-15-7-6-13-25(30)28-22/h4-13,15-17H,3,14,18-19H2,1-2H3,(H,29,32).
What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide?
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 456.55 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 55457489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).