methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

C16H14N4O5 — CID 118728249

IUPACmethyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2nc(C(=O)c3ccc(O)c(OC)c3)ccc2[nH]1
InChIInChI=1S/C16H14N4O5/c1-24-12-7-8(3-6-11(12)21)13(22)9-4-5-10-14(17-9)19-15(18-10)20-16(23)25-2/h3-7,21H,1-2H3,(H2,17,18,19,20,23)
InChIKeyAXHSCFLEHMEYIE-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.08
Rot. Bonds4

About methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate

methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (PubChem CID 118728249) has the molecular formula C16H14N4O5 and a molecular weight of 342.31 g/mol. Its IUPAC name is methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
PubChem CID118728249
Molecular FormulaC16H14N4O5
Molecular Weight342.31 g/mol
Exact Mass342.10
IUPAC Namemethyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate
SMILESCOC(=O)Nc1nc2nc(C(=O)c3ccc(O)c(OC)c3)ccc2[nH]1
InChIInChI=1S/C16H14N4O5/c1-24-12-7-8(3-6-11(12)21)13(22)9-4-5-10-14(17-9)19-15(18-10)20-16(23)25-2/h3-7,21H,1-2H3,(H2,17,18,19,20,23)
InChIKeyAXHSCFLEHMEYIE-UHFFFAOYSA-N
XLogP2.08
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The IUPAC name of methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate (CID 118728249) is methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is COC(=O)Nc1nc2nc(C(=O)c3ccc(O)c(OC)c3)ccc2[nH]1.
What is the InChIKey of methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
The InChIKey is AXHSCFLEHMEYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5/c1-24-12-7-8(3-6-11(12)21)13(22)9-4-5-10-14(17-9)19-15(18-10)20-16(23)25-2/h3-7,21H,1-2H3,(H2,17,18,19,20,23).
What are the key properties of methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate?
methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate has a molecular weight of 342.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(4-hydroxy-3-methoxybenzoyl)-1H-imidazo[4,5-b]pyridin-2-yl]carbamate is sourced from PubChem (CID 118728249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).