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

C21H18N4O3 — CID 44591560

IUPACN-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4[nH]3)c2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-17-9-8-14(12-18(17)28-2)21(26)23-15-6-3-5-13(11-15)19-24-16-7-4-10-22-20(16)25-19/h3-12H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUGIPJBNRUHDGKH-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.89
Rot. Bonds5

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

N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 44591560) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID44591560
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4[nH]3)c2)cc1OC
InChIInChI=1S/C21H18N4O3/c1-27-17-9-8-14(12-18(17)28-2)21(26)23-15-6-3-5-13(11-15)19-24-16-7-4-10-22-20(16)25-19/h3-12H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyUGIPJBNRUHDGKH-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-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide (CID 44591560) is N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4[nH]3)c2)cc1OC.
What is the InChIKey of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is UGIPJBNRUHDGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-17-9-8-14(12-18(17)28-2)21(26)23-15-6-3-5-13(11-15)19-24-16-7-4-10-22-20(16)25-19/h3-12H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide?
N-[3-(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-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 44591560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).