N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C25H24N4O5 — CID 155431584

IUPACN-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCC(=O)NO)[nH]c2c1=O
InChIInChI=1S/C25H24N4O5/c1-29-15-19(17-10-5-6-11-21(17)34-16-8-3-2-4-9-16)18-14-20(27-23(18)25(29)32)24(31)26-13-7-12-22(30)28-33/h2-6,8-11,14-15,27,33H,7,12-13H2,1H3,(H,26,31)(H,28,30)
InChIKeyJBDVGVNIQOSQQT-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.34
Rot. Bonds8

About N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431584) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431584
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC NameN-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCC(=O)NO)[nH]c2c1=O
InChIInChI=1S/C25H24N4O5/c1-29-15-19(17-10-5-6-11-21(17)34-16-8-3-2-4-9-16)18-14-20(27-23(18)25(29)32)24(31)26-13-7-12-22(30)28-33/h2-6,8-11,14-15,27,33H,7,12-13H2,1H3,(H,26,31)(H,28,30)
InChIKeyJBDVGVNIQOSQQT-UHFFFAOYSA-N
XLogP3.34
TPSA125.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431584) is N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCC(=O)NO)[nH]c2c1=O.
What is the InChIKey of N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is JBDVGVNIQOSQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-29-15-19(17-10-5-6-11-21(17)34-16-8-3-2-4-9-16)18-14-20(27-23(18)25(29)32)24(31)26-13-7-12-22(30)28-33/h2-6,8-11,14-15,27,33H,7,12-13H2,1H3,(H,26,31)(H,28,30).
What are the key properties of N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxyamino)-4-oxobutyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).