[1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

C19H16N4O3 — CID 46822277

IUPAC[1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OC(C)C(=O)Nc3cccc(C#N)c3)nc2c1
InChIInChI=1S/C19H16N4O3/c1-12-6-7-23-11-16(22-17(23)8-12)19(25)26-13(2)18(24)21-15-5-3-4-14(9-15)10-20/h3-9,11,13H,1-2H3,(H,21,24)
InChIKeyZVJKKZOXPUWGJQ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.70
Rot. Bonds4

About [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate

[1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 46822277) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID46822277
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name[1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccn2cc(C(=O)OC(C)C(=O)Nc3cccc(C#N)c3)nc2c1
InChIInChI=1S/C19H16N4O3/c1-12-6-7-23-11-16(22-17(23)8-12)19(25)26-13(2)18(24)21-15-5-3-4-14(9-15)10-20/h3-9,11,13H,1-2H3,(H,21,24)
InChIKeyZVJKKZOXPUWGJQ-UHFFFAOYSA-N
XLogP2.70
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(3-cyanoanilino)-1-oxopropan-2-yl] benzoate
CID 18777205
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274978
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55391469
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717129
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7504758
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 7505193
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864748
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxylate
CID 8981088
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 8509519
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797230
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7783500
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
CID 55442201

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 46822277) is [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1ccn2cc(C(=O)OC(C)C(=O)Nc3cccc(C#N)c3)nc2c1.
What is the InChIKey of [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is ZVJKKZOXPUWGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-6-7-23-11-16(22-17(23)8-12)19(25)26-13(2)18(24)21-15-5-3-4-14(9-15)10-20/h3-9,11,13H,1-2H3,(H,21,24).
What are the key properties of [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate?
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyanoanilino)-1-oxopropan-2-yl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 46822277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).