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

C22H21N5O3 — CID 53004139

IUPAC3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCn2c(-c3ccncc3)nc3cccnc32)c1
InChIInChI=1S/C22H21N5O3/c1-29-17-12-16(13-18(14-17)30-2)22(28)25-10-11-27-20(15-5-8-23-9-6-15)26-19-4-3-7-24-21(19)27/h3-9,12-14H,10-11H2,1-2H3,(H,25,28)
InChIKeyLUZALSIGVDMFLD-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.94
Rot. Bonds7

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

3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide (PubChem CID 53004139) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
PubChem CID53004139
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCn2c(-c3ccncc3)nc3cccnc32)c1
InChIInChI=1S/C22H21N5O3/c1-29-17-12-16(13-18(14-17)30-2)22(28)25-10-11-27-20(15-5-8-23-9-6-15)26-19-4-3-7-24-21(19)27/h3-9,12-14H,10-11H2,1-2H3,(H,25,28)
InChIKeyLUZALSIGVDMFLD-UHFFFAOYSA-N
XLogP2.94
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methoxybenzamide
CID 53019777
1-(3,5-dimethoxyphenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 46331611
3,4-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004110
2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53004144
N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 53021795
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 46286381
1-(3-chlorophenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021921
2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53004141
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
1-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53021905

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide (CID 53004139) is 3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCn2c(-c3ccncc3)nc3cccnc32)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
The InChIKey is LUZALSIGVDMFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-29-17-12-16(13-18(14-17)30-2)22(28)25-10-11-27-20(15-5-8-23-9-6-15)26-19-4-3-7-24-21(19)27/h3-9,12-14H,10-11H2,1-2H3,(H,25,28).
What are the key properties of 3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 53004139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).