[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

C18H16N4O4 — CID 7226286

IUPAC[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H16N4O4/c1-11(17(24)20-13-7-5-12(6-8-13)16(19)23)26-18(25)14-10-22-9-3-2-4-15(22)21-14/h2-11H,1H3,(H2,19,23)(H,20,24)/t11-/m1/s1
InChIKeyGYNRTLHQVBVAPS-LLVKDONJSA-N
MW352.35 g/mol
LogP1.62
Rot. Bonds5

About [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7226286) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7226286
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H16N4O4/c1-11(17(24)20-13-7-5-12(6-8-13)16(19)23)26-18(25)14-10-22-9-3-2-4-15(22)21-14/h2-11H,1H3,(H2,19,23)(H,20,24)/t11-/m1/s1
InChIKeyGYNRTLHQVBVAPS-LLVKDONJSA-N
XLogP1.62
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226287
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246853
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246945
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246982
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226254
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226358
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7670970
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7865529
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842519
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7493007
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-hydroxynaphthalene-2-carboxylate
CID 7468200

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7226286) is [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is C[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is GYNRTLHQVBVAPS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11(17(24)20-13-7-5-12(6-8-13)16(19)23)26-18(25)14-10-22-9-3-2-4-15(22)21-14/h2-11H,1H3,(H2,19,23)(H,20,24)/t11-/m1/s1.
What are the key properties of [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7226286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).