methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate

C19H19N3O4 — CID 67449555

IUPACmethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(CCNC(=O)OCc3ccccc3)cn12
InChIInChI=1S/C19H19N3O4/c1-25-18(23)16-8-5-9-17-21-15(12-22(16)17)10-11-20-19(24)26-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,20,24)
InChIKeyMDIVUCOMMXKQQD-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.59
Rot. Bonds6

About methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 67449555) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID67449555
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namemethyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(CCNC(=O)OCc3ccccc3)cn12
InChIInChI=1S/C19H19N3O4/c1-25-18(23)16-8-5-9-17-21-15(12-22(16)17)10-11-20-19(24)26-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,20,24)
InChIKeyMDIVUCOMMXKQQD-UHFFFAOYSA-N
XLogP2.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255815
methyl 2-phenylimidazo[1,2-a]pyridine-5-carboxylate
CID 117133039
methyl 6-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyridine-2-carboxylate
CID 170494480
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
methyl 2-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255825
benzyl N-[2-(3-bromo-8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate;benzyl N-[2-(8-methylsulfanylimidazo[1,2-a]pyrazin-6-yl)ethyl]carbamate
CID 161301120
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 67449555) is methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(CCNC(=O)OCc3ccccc3)cn12.
What is the InChIKey of methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is MDIVUCOMMXKQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-18(23)16-8-5-9-17-21-15(12-22(16)17)10-11-20-19(24)26-13-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,20,24).
What are the key properties of methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 67449555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).