4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C28H36N4O6 — CID 155431437

IUPAC4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C(C)(C)O)ccc2OC2CC2)c2cc(C(=O)NCCCCCCC(=O)NO)[nH]c2c1=O
InChIInChI=1S/C28H36N4O6/c1-28(2,36)17-9-12-23(38-18-10-11-18)19(14-17)21-16-32(3)27(35)25-20(21)15-22(30-25)26(34)29-13-7-5-4-6-8-24(33)31-37/h9,12,14-16,18,30,36-37H,4-8,10-11,13H2,1-3H3,(H,29,34)(H,31,33)
InChIKeyNQGWNAPGXNVYHS-UHFFFAOYSA-N
MW524.62 g/mol
LogP3.49
Rot. Bonds12

About 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 155431437) has the molecular formula C28H36N4O6 and a molecular weight of 524.62 g/mol. Its IUPAC name is 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID155431437
Molecular FormulaC28H36N4O6
Molecular Weight524.62 g/mol
Exact Mass524.26
IUPAC Name4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C(C)(C)O)ccc2OC2CC2)c2cc(C(=O)NCCCCCCC(=O)NO)[nH]c2c1=O
InChIInChI=1S/C28H36N4O6/c1-28(2,36)17-9-12-23(38-18-10-11-18)19(14-17)21-16-32(3)27(35)25-20(21)15-22(30-25)26(34)29-13-7-5-4-6-8-24(33)31-37/h9,12,14-16,18,30,36-37H,4-8,10-11,13H2,1-3H3,(H,29,34)(H,31,33)
InChIKeyNQGWNAPGXNVYHS-UHFFFAOYSA-N
XLogP3.49
TPSA145.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 53.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 155431437) is 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is Cn1cc(-c2cc(C(C)(C)O)ccc2OC2CC2)c2cc(C(=O)NCCCCCCC(=O)NO)[nH]c2c1=O.
What is the InChIKey of 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is NQGWNAPGXNVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O6/c1-28(2,36)17-9-12-23(38-18-10-11-18)19(14-17)21-16-32(3)27(35)25-20(21)15-22(30-25)26(34)29-13-7-5-4-6-8-24(33)31-37/h9,12,14-16,18,30,36-37H,4-8,10-11,13H2,1-3H3,(H,29,34)(H,31,33).
What are the key properties of 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 3.49, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[7-(hydroxyamino)-7-oxoheptyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 155431437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).