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

C24H19N5O4 — CID 155431250

IUPAC4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2C#N)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)[nH]c2c1=O
InChIInChI=1S/C24H19N5O4/c1-29-13-19(17-5-3-2-4-16(17)11-25)18-10-20(27-21(18)24(29)32)23(31)26-12-14-6-8-15(9-7-14)22(30)28-33/h2-10,13,27,33H,12H2,1H3,(H,26,31)(H,28,30)
InChIKeyHSVPMLUIUUYNKU-UHFFFAOYSA-N
MW441.45 g/mol
LogP2.45
Rot. Bonds5

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

4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431250) has the molecular formula C24H19N5O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is 4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431250
Molecular FormulaC24H19N5O4
Molecular Weight441.45 g/mol
Exact Mass441.14
IUPAC Name4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2C#N)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)[nH]c2c1=O
InChIInChI=1S/C24H19N5O4/c1-29-13-19(17-5-3-2-4-16(17)11-25)18-10-20(27-21(18)24(29)32)23(31)26-12-14-6-8-15(9-7-14)22(30)28-33/h2-10,13,27,33H,12H2,1H3,(H,26,31)(H,28,30)
InChIKeyHSVPMLUIUUYNKU-UHFFFAOYSA-N
XLogP2.45
TPSA140.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 52.45
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]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431392
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-4-(2-methylphenyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431199
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431230
N-[(4-formylphenyl)methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431652
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-4-(4-chlorophenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431419
methyl 4-[[[4-[5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carbonyl]amino]methyl]benzoate
CID 155431640
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2,2,4-trimethyl-6-methylsulfonyl-3-oxo-1,4-benzoxazin-8-yl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431452
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-(2-methoxyphenyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 155431201
4-[4-[benzyl-[(4-chlorophenyl)methyl]carbamoyl]-2-(2,6-dimethylphenoxy)phenyl]-N-ethyl-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 87055138
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenyl)benzamide
CID 27843819
N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide
CID 54768736

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431250) is 4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1cc(-c2ccccc2C#N)c2cc(C(=O)NCc3ccc(C(=O)NO)cc3)[nH]c2c1=O.
What is the InChIKey of 4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is HSVPMLUIUUYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4/c1-29-13-19(17-5-3-2-4-16(17)11-25)18-10-20(27-21(18)24(29)32)23(31)26-12-14-6-8-15(9-7-14)22(30)28-33/h2-10,13,27,33H,12H2,1H3,(H,26,31)(H,28,30).
What are the key properties of 4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).