2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate

C19H16BrN5O2 — CID 14390302

IUPAC2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate
SMILESO.O=C(Cn1c(-c2ccc(Br)cc2)nc2cccnc21)Nc1cccnc1
InChIInChI=1S/C19H14BrN5O.H2O/c20-14-7-5-13(6-8-14)18-24-16-4-2-10-22-19(16)25(18)12-17(26)23-15-3-1-9-21-11-15;/h1-11H,12H2,(H,23,26);1H2
InChIKeyFJNZJEQFPBXCON-UHFFFAOYSA-N
MW426.27 g/mol
LogP3.07
Rot. Bonds4

About 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate

2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate (PubChem CID 14390302) has the molecular formula C19H16BrN5O2 and a molecular weight of 426.27 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate
PubChem CID14390302
Molecular FormulaC19H16BrN5O2
Molecular Weight426.27 g/mol
Exact Mass425.05
IUPAC Name2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate
SMILESO.O=C(Cn1c(-c2ccc(Br)cc2)nc2cccnc21)Nc1cccnc1
InChIInChI=1S/C19H14BrN5O.H2O/c20-14-7-5-13(6-8-14)18-24-16-4-2-10-22-19(16)25(18)12-17(26)23-15-3-1-9-21-11-15;/h1-11H,12H2,(H,23,26);1H2
InChIKeyFJNZJEQFPBXCON-UHFFFAOYSA-N
XLogP3.07
TPSA104.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide
CID 14390300
2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide
CID 14390268
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 14390236
2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;(E)-but-2-enedioic acid
CID 15617208
ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate
CID 14390235
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 14390215
2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide
CID 14390228
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 46286381
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate?
The IUPAC name of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate (CID 14390302) is 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate.
What is the SMILES notation for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate?
The canonical SMILES for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate is O.O=C(Cn1c(-c2ccc(Br)cc2)nc2cccnc21)Nc1cccnc1.
What is the InChIKey of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate?
The InChIKey is FJNZJEQFPBXCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O.H2O/c20-14-7-5-13(6-8-14)18-24-16-4-2-10-22-19(16)25(18)12-17(26)23-15-3-1-9-21-11-15;/h1-11H,12H2,(H,23,26);1H2.
What are the key properties of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate?
2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate has a molecular weight of 426.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate is sourced from PubChem (CID 14390302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).