N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide

C19H16N4O2S — CID 155564709

IUPACN-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1-c1cnc2nc(COc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H16N4O2S/c1-20-19(24)14-7-8-26-17(14)12-9-15-18(21-10-12)23-16(22-15)11-25-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyUBDSTXLOARMOPC-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.62
Rot. Bonds5

About N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide

N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide (PubChem CID 155564709) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
PubChem CID155564709
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1-c1cnc2nc(COc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H16N4O2S/c1-20-19(24)14-7-8-26-17(14)12-9-15-18(21-10-12)23-16(22-15)11-25-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyUBDSTXLOARMOPC-UHFFFAOYSA-N
XLogP3.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
The IUPAC name of N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide (CID 155564709) is N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide is CNC(=O)c1ccsc1-c1cnc2nc(COc3ccccc3)[nH]c2c1.
What is the InChIKey of N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
The InChIKey is UBDSTXLOARMOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-20-19(24)14-7-8-26-17(14)12-9-15-18(21-10-12)23-16(22-15)11-25-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide?
N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(phenoxymethyl)-1H-imidazo[4,5-b]pyridin-6-yl]thiophene-3-carboxamide is sourced from PubChem (CID 155564709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).