4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide

C23H21ClN4O3 — CID 46277387

IUPAC4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)c(-n3cnc4cccnc43)c2)cc1OC
InChIInChI=1S/C23H21ClN4O3/c1-30-20-8-5-15(12-21(20)31-2)9-11-26-23(29)16-6-7-17(24)19(13-16)28-14-27-18-4-3-10-25-22(18)28/h3-8,10,12-14H,9,11H2,1-2H3,(H,26,29)
InChIKeyKZGSVJRTQRRPSM-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.06
Rot. Bonds7

About 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide

4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide (PubChem CID 46277387) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide
PubChem CID46277387
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Name4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Cl)c(-n3cnc4cccnc43)c2)cc1OC
InChIInChI=1S/C23H21ClN4O3/c1-30-20-8-5-15(12-21(20)31-2)9-11-26-23(29)16-6-7-17(24)19(13-16)28-14-27-18-4-3-10-25-22(18)28/h3-8,10,12-14H,9,11H2,1-2H3,(H,26,29)
InChIKeyKZGSVJRTQRRPSM-UHFFFAOYSA-N
XLogP4.06
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide
CID 46277393
3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid
CID 82514468
3-imidazo[4,5-b]pyridin-3-yl-4-methyl-N-(3-phenylpropyl)benzamide
CID 46277287
N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755852
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416871
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393870
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 45491616
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 3595994
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006218

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide?
The IUPAC name of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide (CID 46277387) is 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide?
The canonical SMILES for 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide is COc1ccc(CCNC(=O)c2ccc(Cl)c(-n3cnc4cccnc43)c2)cc1OC.
What is the InChIKey of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide?
The InChIKey is KZGSVJRTQRRPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-30-20-8-5-15(12-21(20)31-2)9-11-26-23(29)16-6-7-17(24)19(13-16)28-14-27-18-4-3-10-25-22(18)28/h3-8,10,12-14H,9,11H2,1-2H3,(H,26,29).
What are the key properties of 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide?
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide has a molecular weight of 436.90 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-imidazo[4,5-b]pyridin-3-ylbenzamide is sourced from PubChem (CID 46277387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).