3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide

C24H20ClN3O3 — CID 3354919

IUPAC3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CC(c2ccc3c(c2)OCO3)c2cnc3ccc(Cl)cn23)cc1
InChIInChI=1S/C24H20ClN3O3/c1-15-2-6-18(7-3-15)27-24(29)11-19(16-4-8-21-22(10-16)31-14-30-21)20-12-26-23-9-5-17(25)13-28(20)23/h2-10,12-13,19H,11,14H2,1H3,(H,27,29)
InChIKeyBNKITAXDNDHPJA-UHFFFAOYSA-N
MW433.90 g/mol
LogP5.19
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide

3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide (PubChem CID 3354919) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide
PubChem CID3354919
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CC(c2ccc3c(c2)OCO3)c2cnc3ccc(Cl)cn23)cc1
InChIInChI=1S/C24H20ClN3O3/c1-15-2-6-18(7-3-15)27-24(29)11-19(16-4-8-21-22(10-16)31-14-30-21)20-12-26-23-9-5-17(25)13-28(20)23/h2-10,12-13,19H,11,14H2,1H3,(H,27,29)
InChIKeyBNKITAXDNDHPJA-UHFFFAOYSA-N
XLogP5.19
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(3,5-dimethoxyphenyl)propanamide
CID 93011803
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-fluorophenyl)-3-(2-methoxyphenyl)propanamide
CID 4290443
1-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-N-(4-methylphenyl)triazole-4-carboxamide
CID 53180147
3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-yl-N,N-dipropylpropanamide
CID 4150123
ethyl 4-[3-(1,3-benzodioxol-5-yl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
CID 42782057
2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588508
3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one
CID 4171526
(3S)-3-(1,3-benzodioxol-5-yl)-3-(2,5-dimethylpyrrol-1-yl)-N-(4-fluorophenyl)propanamide
CID 1480764
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
CID 18137507
N-(1,3-benzodioxol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2374011
N-(1,3-benzodioxol-5-yl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256738

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide (CID 3354919) is 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CC(c2ccc3c(c2)OCO3)c2cnc3ccc(Cl)cn23)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is BNKITAXDNDHPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-2-6-18(7-3-15)27-24(29)11-19(16-4-8-21-22(10-16)31-14-30-21)20-12-26-23-9-5-17(25)13-28(20)23/h2-10,12-13,19H,11,14H2,1H3,(H,27,29).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide?
3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 433.90 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 3354919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).