N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide

C29H33N3O3 — CID 5154471

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide
SMILESCOc1ccc(CCN(C)C(=O)CC(c2ccccc2C)c2cnc3cc(C)ccn23)cc1OC
InChIInChI=1S/C29H33N3O3/c1-20-12-15-32-25(19-30-28(32)16-20)24(23-9-7-6-8-21(23)2)18-29(33)31(3)14-13-22-10-11-26(34-4)27(17-22)35-5/h6-12,15-17,19,24H,13-14,18H2,1-5H3
InChIKeyYUQDYIDYMOHBCD-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.19
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide (PubChem CID 5154471) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide
PubChem CID5154471
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide
SMILESCOc1ccc(CCN(C)C(=O)CC(c2ccccc2C)c2cnc3cc(C)ccn23)cc1OC
InChIInChI=1S/C29H33N3O3/c1-20-12-15-32-25(19-30-28(32)16-20)24(23-9-7-6-8-21(23)2)18-29(33)31(3)14-13-22-10-11-26(34-4)27(17-22)35-5/h6-12,15-17,19,24H,13-14,18H2,1-5H3
InChIKeyYUQDYIDYMOHBCD-UHFFFAOYSA-N
XLogP5.19
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide
CID 4119452
3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42783807
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 42803901
(3R)-N-(2-fluorophenyl)-3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332181
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 42782043
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 55696677
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42774825
N-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5050636
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
CID 26739400
3-imidazo[1,2-a]pyridin-3-yl-3-(2-methoxyphenyl)-N-(2-phenylethyl)propanamide
CID 42782038
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide (CID 5154471) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide is COc1ccc(CCN(C)C(=O)CC(c2ccccc2C)c2cnc3cc(C)ccn23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide?
The InChIKey is YUQDYIDYMOHBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-20-12-15-32-25(19-30-28(32)16-20)24(23-9-7-6-8-21(23)2)18-29(33)31(3)14-13-22-10-11-26(34-4)27(17-22)35-5/h6-12,15-17,19,24H,13-14,18H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide has a molecular weight of 471.60 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 5154471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).