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

C28H30N4O5 — CID 155431421

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCCC(=O)NO)[nH]c2c1=O
InChIInChI=1S/C28H30N4O5/c1-32-18-22(20-13-8-9-14-24(20)37-19-11-5-4-6-12-19)21-17-23(30-26(21)28(32)35)27(34)29-16-10-3-2-7-15-25(33)31-36/h4-6,8-9,11-14,17-18,30,36H,2-3,7,10,15-16H2,1H3,(H,29,34)(H,31,33)
InChIKeyJETVWIPZDARZAN-UHFFFAOYSA-N
MW502.57 g/mol
LogP4.51
Rot. Bonds11

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

N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431421) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431421
Molecular FormulaC28H30N4O5
Molecular Weight502.57 g/mol
Exact Mass502.22
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCCC(=O)NO)[nH]c2c1=O
InChIInChI=1S/C28H30N4O5/c1-32-18-22(20-13-8-9-14-24(20)37-19-11-5-4-6-12-19)21-17-23(30-26(21)28(32)35)27(34)29-16-10-3-2-7-15-25(33)31-36/h4-6,8-9,11-14,17-18,30,36H,2-3,7,10,15-16H2,1H3,(H,29,34)(H,31,33)
InChIKeyJETVWIPZDARZAN-UHFFFAOYSA-N
XLogP4.51
TPSA125.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 54.51
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-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431421) is N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)NCCCCCCC(=O)NO)[nH]c2c1=O.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is JETVWIPZDARZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-32-18-22(20-13-8-9-14-24(20)37-19-11-5-4-6-12-19)21-17-23(30-26(21)28(32)35)27(34)29-16-10-3-2-7-15-25(33)31-36/h4-6,8-9,11-14,17-18,30,36H,2-3,7,10,15-16H2,1H3,(H,29,34)(H,31,33).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 502.57 g/mol, XLogP of 4.51, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).