N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide

C21H18N4O3 — CID 24769779

IUPACN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-17-10-9-13(12-18(17)28-2)21(26)24-15-7-4-3-6-14(15)19-23-16-8-5-11-22-20(16)25-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyOYANJGYHTCPKQL-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.89
Rot. Bonds5

About N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide

N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 24769779) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID24769779
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-17-10-9-13(12-18(17)28-2)21(26)24-15-7-4-3-6-14(15)19-23-16-8-5-11-22-20(16)25-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyOYANJGYHTCPKQL-UHFFFAOYSA-N
XLogP3.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide (CID 24769779) is N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)cc1OC.
What is the InChIKey of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is OYANJGYHTCPKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-17-10-9-13(12-18(17)28-2)21(26)24-15-7-4-3-6-14(15)19-23-16-8-5-11-22-20(16)25-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 374.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 24769779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).