(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide

C19H16BrClN4O2 — CID 26622519

IUPAC(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C19H16BrClN4O2/c1-24(12-17(26)22-14-7-3-2-6-13(14)20)18(27)10-9-15-19(21)23-16-8-4-5-11-25(15)16/h2-11H,12H2,1H3,(H,22,26)/b10-9+
InChIKeyBLHBQCFSPJGHIT-MDZDMXLPSA-N
MW447.72 g/mol
LogP3.86
Rot. Bonds5

About (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide

(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide (PubChem CID 26622519) has the molecular formula C19H16BrClN4O2 and a molecular weight of 447.72 g/mol. Its IUPAC name is (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide
PubChem CID26622519
Molecular FormulaC19H16BrClN4O2
Molecular Weight447.72 g/mol
Exact Mass446.01
IUPAC Name(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide
SMILESCN(CC(=O)Nc1ccccc1Br)C(=O)/C=C/c1c(Cl)nc2ccccn12
InChIInChI=1S/C19H16BrClN4O2/c1-24(12-17(26)22-14-7-3-2-6-13(14)20)18(27)10-9-15-19(21)23-16-8-4-5-11-25(15)16/h2-11H,12H2,1H3,(H,22,26)/b10-9+
InChIKeyBLHBQCFSPJGHIT-MDZDMXLPSA-N
XLogP3.86
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.72
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(3-chloro-4-methylphenyl)-N-methylprop-2-enamide
CID 26622546
3-(1,3-benzothiazol-2-yl)-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 76856979
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-ethoxyphenyl)methyl]-N-methylprop-2-enamide
CID 34864567
(E)-N-benzyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylprop-2-enamide
CID 98667077
2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]benzamide
CID 75620305
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 85457596
[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 8951310
[2-(4-chloro-2-methylanilino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734542
3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-quinolin-8-ylprop-2-enamide
CID 75618039
[2-(3-methylanilino)-2-oxoethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7735155
N-[2-[3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoylamino]ethyl]-2-methylpropanamide
CID 74629548
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734995

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide (CID 26622519) is (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide is CN(CC(=O)Nc1ccccc1Br)C(=O)/C=C/c1c(Cl)nc2ccccn12.
What is the InChIKey of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide?
The InChIKey is BLHBQCFSPJGHIT-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16BrClN4O2/c1-24(12-17(26)22-14-7-3-2-6-13(14)20)18(27)10-9-15-19(21)23-16-8-4-5-11-25(15)16/h2-11H,12H2,1H3,(H,22,26)/b10-9+.
What are the key properties of (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide?
(E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide has a molecular weight of 447.72 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 26622519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).