4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen

C22H20N4O3 — CID 145498614

IUPAC4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ncc(C)cc4n3O)cc2)cc1.[H][H]
InChIInChI=1S/C22H18N4O3.H2/c1-13-11-19-20(23-12-13)25-21(26(19)29)16-7-9-18(10-8-16)24-22(28)17-5-3-15(4-6-17)14(2)27;/h3-12,29H,1-2H3,(H,24,28);1H
InChIKeyQHNRVQGTSHKZQA-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.34
Rot. Bonds4

About 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen

4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen (PubChem CID 145498614) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
PubChem CID145498614
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen
SMILESCC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ncc(C)cc4n3O)cc2)cc1.[H][H]
InChIInChI=1S/C22H18N4O3.H2/c1-13-11-19-20(23-12-13)25-21(26(19)29)16-7-9-18(10-8-16)24-22(28)17-5-3-15(4-6-17)14(2)27;/h3-12,29H,1-2H3,(H,24,28);1H
InChIKeyQHNRVQGTSHKZQA-UHFFFAOYSA-N
XLogP4.34
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
4-(dimethylamino)-N-[4-(1-hydroxy-5-methylbenzimidazol-2-yl)phenyl]benzamide
CID 11668165
4-acetyl-N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 75504194
2-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-3-hydroxybenzimidazole-5-carboxylic acid
CID 11683111
4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide
CID 25061865
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
1-N-(4-acetylphenyl)-4-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049646
4-hydroxy-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11718063
2-[4-[(4-acetylbenzoyl)amino]phenyl]-5-(methylamino)benzenesulfonic acid;molecular hydrogen;sulfur trioxide
CID 164984356
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
N-(4-acetylphenyl)-3-bromo-5-methylbenzamide
CID 104851617

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen?
The IUPAC name of 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen (CID 145498614) is 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen.
What is the SMILES notation for 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen?
The canonical SMILES for 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen is CC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ncc(C)cc4n3O)cc2)cc1.[H][H].
What is the InChIKey of 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen?
The InChIKey is QHNRVQGTSHKZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3.H2/c1-13-11-19-20(23-12-13)25-21(26(19)29)16-7-9-18(10-8-16)24-22(28)17-5-3-15(4-6-17)14(2)27;/h3-12,29H,1-2H3,(H,24,28);1H.
What are the key properties of 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen?
4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen has a molecular weight of 388.43 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(1-hydroxy-6-methylimidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;molecular hydrogen is sourced from PubChem (CID 145498614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).