3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide

C23H22N4O3 — CID 53004110

IUPAC3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2c(-c3ccccc3)nc3cccnc32)cc1OC
InChIInChI=1S/C23H22N4O3/c1-29-19-11-10-17(15-20(19)30-2)23(28)25-13-14-27-21(16-7-4-3-5-8-16)26-18-9-6-12-24-22(18)27/h3-12,15H,13-14H2,1-2H3,(H,25,28)
InChIKeyMQHMJWYJVBGXKA-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.55
Rot. Bonds7

About 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide

3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide (PubChem CID 53004110) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
PubChem CID53004110
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2c(-c3ccccc3)nc3cccnc32)cc1OC
InChIInChI=1S/C23H22N4O3/c1-29-19-11-10-17(15-20(19)30-2)23(28)25-13-14-27-21(16-7-4-3-5-8-16)26-18-9-6-12-24-22(18)27/h3-12,15H,13-14H2,1-2H3,(H,25,28)
InChIKeyMQHMJWYJVBGXKA-UHFFFAOYSA-N
XLogP3.55
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53019815
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004139
1-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53021905
N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methoxybenzamide
CID 53019777
2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286463
3-chloro-4-methoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286471
2-(4-chlorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53019826
2-(3-fluorophenyl)-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53020252
3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53021801
1-(2-chlorophenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021890
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 46286381

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide (CID 53004110) is 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide is COc1ccc(C(=O)NCCn2c(-c3ccccc3)nc3cccnc32)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
The InChIKey is MQHMJWYJVBGXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-19-11-10-17(15-20(19)30-2)23(28)25-13-14-27-21(16-7-4-3-5-8-16)26-18-9-6-12-24-22(18)27/h3-12,15H,13-14H2,1-2H3,(H,25,28).
What are the key properties of 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 53004110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).