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

C28H31N3O3 — CID 4119452

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)CC(c2ccccc2)c2cnc3cc(C)ccn23)cc1OC
InChIInChI=1S/C28H31N3O3/c1-20-12-15-31-24(19-29-27(31)16-20)23(22-8-6-5-7-9-22)18-28(32)30(2)14-13-21-10-11-25(33-3)26(17-21)34-4/h5-12,15-17,19,23H,13-14,18H2,1-4H3
InChIKeyKWRCYMFIIQAZGH-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.88
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide (PubChem CID 4119452) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide
PubChem CID4119452
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide
SMILESCOc1ccc(CCN(C)C(=O)CC(c2ccccc2)c2cnc3cc(C)ccn23)cc1OC
InChIInChI=1S/C28H31N3O3/c1-20-12-15-31-24(19-29-27(31)16-20)23(22-8-6-5-7-9-22)18-28(32)30(2)14-13-21-10-11-25(33-3)26(17-21)34-4/h5-12,15-17,19,23H,13-14,18H2,1-4H3
InChIKeyKWRCYMFIIQAZGH-UHFFFAOYSA-N
XLogP4.88
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.88
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-(2-methylphenyl)propanamide
CID 5154471
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]-N-methyl-3-(1-methylindol-3-yl)-3-(3-phenoxyphenyl)propanamide
CID 42774825
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 42803901
(3S)-3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylpropanamide
CID 7332110
3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 3311606
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5072076
2-(4-benzoylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 24979721
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 42782043
(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]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
CID 26739400
(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-phenylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide (CID 4119452) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide is COc1ccc(CCN(C)C(=O)CC(c2ccccc2)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-phenylpropanamide?
The InChIKey is KWRCYMFIIQAZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20-12-15-31-24(19-29-27(31)16-20)23(22-8-6-5-7-9-22)18-28(32)30(2)14-13-21-10-11-25(33-3)26(17-21)34-4/h5-12,15-17,19,23H,13-14,18H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropanamide has a molecular weight of 457.57 g/mol, XLogP of 4.88, 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-phenylpropanamide is sourced from PubChem (CID 4119452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).