3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide

C18H16BrN3O3 — CID 55976385

IUPAC3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C18H16BrN3O3/c19-13-3-5-17-21-14(10-22(17)9-13)8-20-18(23)6-2-12-1-4-15-16(7-12)25-11-24-15/h1,3-5,7,9-10H,2,6,8,11H2,(H,20,23)
InChIKeyNWQHCGKKPBIZJU-UHFFFAOYSA-N
MW402.25 g/mol
LogP3.07
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide (PubChem CID 55976385) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
PubChem CID55976385
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NCc1cn2cc(Br)ccc2n1
InChIInChI=1S/C18H16BrN3O3/c19-13-3-5-17-21-14(10-22(17)9-13)8-20-18(23)6-2-12-1-4-15-16(7-12)25-11-24-15/h1,3-5,7,9-10H,2,6,8,11H2,(H,20,23)
InChIKeyNWQHCGKKPBIZJU-UHFFFAOYSA-N
XLogP3.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
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CID 136665369
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53153760
3-(1,3-benzodioxol-5-yl)-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110426511
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide
CID 16574686
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
3-(1,3-benzodioxol-5-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 53277941
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 2999117
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
CID 55977015
3-(1,3-benzodioxol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propanamide;hydrochloride
CID 154897119

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide (CID 55976385) is 3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)NCc1cn2cc(Br)ccc2n1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide?
The InChIKey is NWQHCGKKPBIZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c19-13-3-5-17-21-14(10-22(17)9-13)8-20-18(23)6-2-12-1-4-15-16(7-12)25-11-24-15/h1,3-5,7,9-10H,2,6,8,11H2,(H,20,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide has a molecular weight of 402.25 g/mol, XLogP of 3.07, 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)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 55976385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).