(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate

C19H16N4O3 — CID 16569345

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate
SMILESCc1cccn2cc(COC(=O)c3ccc(NC(=O)CC#N)cc3)nc12
InChIInChI=1S/C19H16N4O3/c1-13-3-2-10-23-11-16(22-18(13)23)12-26-19(25)14-4-6-15(7-5-14)21-17(24)8-9-20/h2-7,10-11H,8,12H2,1H3,(H,21,24)
InChIKeySDBZXLNGLQWCHX-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.85
Rot. Bonds5

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate (PubChem CID 16569345) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate
PubChem CID16569345
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate
SMILESCc1cccn2cc(COC(=O)c3ccc(NC(=O)CC#N)cc3)nc12
InChIInChI=1S/C19H16N4O3/c1-13-3-2-10-23-11-16(22-18(13)23)12-26-19(25)14-4-6-15(7-5-14)21-17(24)8-9-20/h2-7,10-11H,8,12H2,1H3,(H,21,24)
InChIKeySDBZXLNGLQWCHX-UHFFFAOYSA-N
XLogP2.85
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548765
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-[(2-cyanoacetyl)amino]benzoate
CID 18283280
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46510197
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate
CID 42901072
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 16570626
N-[4-(methylcarbamoyl)phenyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 18278813
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 16594565
butyl 4-[(2-cyanoacetyl)amino]benzoate
CID 3578715
N-(3-acetylphenyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 47092008
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-(azepan-1-yl)-3-nitrobenzoate
CID 16960694
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 16570109
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808357

Frequently Asked Questions

What is the IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate (CID 16569345) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate is Cc1cccn2cc(COC(=O)c3ccc(NC(=O)CC#N)cc3)nc12.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate?
The InChIKey is SDBZXLNGLQWCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-13-3-2-10-23-11-16(22-18(13)23)12-26-19(25)14-4-6-15(7-5-14)21-17(24)8-9-20/h2-7,10-11H,8,12H2,1H3,(H,21,24).
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate has a molecular weight of 348.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate is sourced from PubChem (CID 16569345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).