N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide

C29H24N4O4 — CID 127026797

IUPACN-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cnc4c(NC(=O)c5ccccc5)cccn34)c2)cc1OC
InChIInChI=1S/C29H24N4O4/c1-36-25-14-13-21(17-26(25)37-2)29(35)31-22-11-6-10-20(16-22)24-18-30-27-23(12-7-15-33(24)27)32-28(34)19-8-4-3-5-9-19/h3-18H,1-2H3,(H,31,35)(H,32,34)
InChIKeyFSPYLPACKVDBFT-UHFFFAOYSA-N
MW492.54 g/mol
LogP5.52
Rot. Bonds7

About N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide

N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 127026797) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide
PubChem CID127026797
Molecular FormulaC29H24N4O4
Molecular Weight492.54 g/mol
Exact Mass492.18
IUPAC NameN-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3cnc4c(NC(=O)c5ccccc5)cccn34)c2)cc1OC
InChIInChI=1S/C29H24N4O4/c1-36-25-14-13-21(17-26(25)37-2)29(35)31-22-11-6-10-20(16-22)24-18-30-27-23(12-7-15-33(24)27)32-28(34)19-8-4-3-5-9-19/h3-18H,1-2H3,(H,31,35)(H,32,34)
InChIKeyFSPYLPACKVDBFT-UHFFFAOYSA-N
XLogP5.52
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide (CID 127026797) is N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cccc(-c3cnc4c(NC(=O)c5ccccc5)cccn34)c2)cc1OC.
What is the InChIKey of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is FSPYLPACKVDBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4/c1-36-25-14-13-21(17-26(25)37-2)29(35)31-22-11-6-10-20(16-22)24-18-30-27-23(12-7-15-33(24)27)32-28(34)19-8-4-3-5-9-19/h3-18H,1-2H3,(H,31,35)(H,32,34).
What are the key properties of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide?
N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 492.54 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 127026797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).