N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide

C21H23N3O4 — CID 90838471

IUPACN-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
SMILESCC(=O)c1cc2cc(NC(=O)c3ccc(OC(C)(C)CCO)cc3)ncc2[nH]1
InChIInChI=1S/C21H23N3O4/c1-13(26)17-10-15-11-19(22-12-18(15)23-17)24-20(27)14-4-6-16(7-5-14)28-21(2,3)8-9-25/h4-7,10-12,23,25H,8-9H2,1-3H3,(H,22,24,27)
InChIKeyXBXOOUHMTQUTOX-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.56
Rot. Bonds7

About N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide

N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide (PubChem CID 90838471) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide.

Molecular Properties

Compound NameN-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
PubChem CID90838471
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
SMILESCC(=O)c1cc2cc(NC(=O)c3ccc(OC(C)(C)CCO)cc3)ncc2[nH]1
InChIInChI=1S/C21H23N3O4/c1-13(26)17-10-15-11-19(22-12-18(15)23-17)24-20(27)14-4-6-16(7-5-14)28-21(2,3)8-9-25/h4-7,10-12,23,25H,8-9H2,1-3H3,(H,22,24,27)
InChIKeyXBXOOUHMTQUTOX-UHFFFAOYSA-N
XLogP3.56
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Atevirdine
CID 60848
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
Piperazine, 1-((6-methoxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453390
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((6-(phenylmethoxy)-1H-indol-2-yl)carbonyl)-
CID 453392
2-[2-(2-{[2-({4-[[3-(Isopropylamino)pyridin-2-yl](methyl)amino]piperidin-1-yl}carbonyl)-1H-indol-6-yl]oxy}ethoxy)ethoxy]ethanol
CID 462953
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
[4-[3-(tert-butylamino)-2-pyridyl]piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 455409
1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208072
(3R)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one
CID 46189861

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
The IUPAC name of N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide (CID 90838471) is N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide.
What is the SMILES notation for N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
The canonical SMILES for N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide is CC(=O)c1cc2cc(NC(=O)c3ccc(OC(C)(C)CCO)cc3)ncc2[nH]1.
What is the InChIKey of N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
The InChIKey is XBXOOUHMTQUTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13(26)17-10-15-11-19(22-12-18(15)23-17)24-20(27)14-4-6-16(7-5-14)28-21(2,3)8-9-25/h4-7,10-12,23,25H,8-9H2,1-3H3,(H,22,24,27).
What are the key properties of N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide?
N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide has a molecular weight of 381.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1H-pyrrolo[2,3-c]pyridin-5-yl)-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide is sourced from PubChem (CID 90838471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).