N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C23H20N4O5 — CID 155431429

IUPACN-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cn(C)c(=O)c3[nH]c(C(=O)Nc4ccc(C(=O)NO)cc4)cc23)cc1
InChIInChI=1S/C23H20N4O5/c1-27-12-18(13-5-9-16(32-2)10-6-13)17-11-19(25-20(17)23(27)30)22(29)24-15-7-3-14(4-8-15)21(28)26-31/h3-12,25,31H,1-2H3,(H,24,29)(H,26,28)
InChIKeyAKDWGKDZPGUISH-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.91
Rot. Bonds5

About N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431429) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431429
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC NameN-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCOc1ccc(-c2cn(C)c(=O)c3[nH]c(C(=O)Nc4ccc(C(=O)NO)cc4)cc23)cc1
InChIInChI=1S/C23H20N4O5/c1-27-12-18(13-5-9-16(32-2)10-6-13)17-11-19(25-20(17)23(27)30)22(29)24-15-7-3-14(4-8-15)21(28)26-31/h3-12,25,31H,1-2H3,(H,24,29)(H,26,28)
InChIKeyAKDWGKDZPGUISH-UHFFFAOYSA-N
XLogP2.91
TPSA125.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(hydroxycarbamoyl)phenyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431678
N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(3-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431684
4-[4-[(dimethylamino)methyl]phenyl]-N-(4-formylphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431435
N-[4-[(2-aminophenyl)carbamoyl]phenyl]-4-(2-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431201
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431392
4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431250
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-(4-chlorophenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431419
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24655309
6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 11782327
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
N-[4-(2-methoxyphenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 27901826

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431429) is N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is COc1ccc(-c2cn(C)c(=O)c3[nH]c(C(=O)Nc4ccc(C(=O)NO)cc4)cc23)cc1.
What is the InChIKey of N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is AKDWGKDZPGUISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-27-12-18(13-5-9-16(32-2)10-6-13)17-11-19(25-20(17)23(27)30)22(29)24-15-7-3-14(4-8-15)21(28)26-31/h3-12,25,31H,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxycarbamoyl)phenyl]-4-(4-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).