3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide

C20H16BrN5O2 — CID 42642188

IUPAC3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc3[nH]c(Nc4ccc(Br)cc4)nc3n2)c1
InChIInChI=1S/C20H16BrN5O2/c1-22-19(27)12-3-2-4-15(11-12)28-17-10-9-16-18(25-17)26-20(24-16)23-14-7-5-13(21)6-8-14/h2-11H,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyLSJZJELIOJVEBA-UHFFFAOYSA-N
MW438.29 g/mol
LogP4.62
Rot. Bonds5

About 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide

3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide (PubChem CID 42642188) has the molecular formula C20H16BrN5O2 and a molecular weight of 438.29 g/mol. Its IUPAC name is 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide
PubChem CID42642188
Molecular FormulaC20H16BrN5O2
Molecular Weight438.29 g/mol
Exact Mass437.05
IUPAC Name3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc3[nH]c(Nc4ccc(Br)cc4)nc3n2)c1
InChIInChI=1S/C20H16BrN5O2/c1-22-19(27)12-3-2-4-15(11-12)28-17-10-9-16-18(25-17)26-20(24-16)23-14-7-5-13(21)6-8-14/h2-11H,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyLSJZJELIOJVEBA-UHFFFAOYSA-N
XLogP4.62
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenoxy)-N-methylbenzamide
CID 169337021
3-(2-cyanopropan-2-yl)-N-[3-[[2-(cyclopropanecarbonylamino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]phenyl]benzamide
CID 57387329
5-methoxy-N-phenyl-1H-imidazo[4,5-b]pyridin-2-amine
CID 141189251
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
N-(4-methylphenyl)-3-pyrido[2,3-b]pyrazin-6-yloxybenzamide
CID 133301621
3-(4-bromophenoxy)-N-ethylbenzamide
CID 12941905
2-(4-methoxyanilino)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 66587024
3-[[2-[[(1R)-1-cyclohexylethyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methylbenzamide
CID 59534196
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
4-[[2-(4-tert-butylanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 22040656
1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 60616920
[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid
CID 175210839

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide?
The IUPAC name of 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide (CID 42642188) is 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide.
What is the SMILES notation for 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide?
The canonical SMILES for 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide is CNC(=O)c1cccc(Oc2ccc3[nH]c(Nc4ccc(Br)cc4)nc3n2)c1.
What is the InChIKey of 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide?
The InChIKey is LSJZJELIOJVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O2/c1-22-19(27)12-3-2-4-15(11-12)28-17-10-9-16-18(25-17)26-20(24-16)23-14-7-5-13(21)6-8-14/h2-11H,1H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide?
3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide has a molecular weight of 438.29 g/mol, XLogP of 4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromoanilino)-1H-imidazo[4,5-b]pyridin-5-yl]oxy]-N-methylbenzamide is sourced from PubChem (CID 42642188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).