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

C22H21N5O3 — CID 53019815

IUPAC3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2c(-c3ccncc3)nc3cccnc32)cc1OC
InChIInChI=1S/C22H21N5O3/c1-29-18-6-5-16(14-19(18)30-2)22(28)25-12-13-27-20(15-7-10-23-11-8-15)26-17-4-3-9-24-21(17)27/h3-11,14H,12-13H2,1-2H3,(H,25,28)
InChIKeyDLPZZFDTFGXXQV-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.94
Rot. Bonds7

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

3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide (PubChem CID 53019815) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
PubChem CID53019815
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2c(-c3ccncc3)nc3cccnc32)cc1OC
InChIInChI=1S/C22H21N5O3/c1-29-18-6-5-16(14-19(18)30-2)22(28)25-12-13-27-20(15-7-10-23-11-8-15)26-17-4-3-9-24-21(17)27/h3-11,14H,12-13H2,1-2H3,(H,25,28)
InChIKeyDLPZZFDTFGXXQV-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-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004110
3,5-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide
CID 53004139
N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-3-methoxybenzamide
CID 53019777
N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 53021795
1-(2-methoxyphenyl)-3-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021888
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]pyrazine-2-carboxamide
CID 46286381
2-phenoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
CID 53004144
1-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53021905
1-(3,5-dimethoxyphenyl)-3-[3-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propyl]urea
CID 46331611
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
3,4-dimethyl-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 53021801
1-(3-chlorophenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021921

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide (CID 53019815) is 3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide is COc1ccc(C(=O)NCCn2c(-c3ccncc3)nc3cccnc32)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
The InChIKey is DLPZZFDTFGXXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-29-18-6-5-16(14-19(18)30-2)22(28)25-12-13-27-20(15-7-10-23-11-8-15)26-17-4-3-9-24-21(17)27/h3-11,14H,12-13H2,1-2H3,(H,25,28).
What are the key properties of 3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide?
3,4-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 3,4-dimethoxy-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 53019815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).