N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

C21H19N3O3 — CID 58465681

IUPACN-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NO)c1cc2n(c1)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C21H19N3O3/c25-20(22-27)18-12-19-14-24(11-10-23(19)13-18)21(26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,27H,10-11,14H2,(H,22,25)
InChIKeyKWSAEIUYNAKOEW-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.93
Rot. Bonds3

About N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 58465681) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID58465681
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NO)c1cc2n(c1)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C21H19N3O3/c25-20(22-27)18-12-19-14-24(11-10-23(19)13-18)21(26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,27H,10-11,14H2,(H,22,25)
InChIKeyKWSAEIUYNAKOEW-UHFFFAOYSA-N
XLogP2.93
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 58465681) is N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is O=C(NO)c1cc2n(c1)CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2.
What is the InChIKey of N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is KWSAEIUYNAKOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-20(22-27)18-12-19-14-24(11-10-23(19)13-18)21(26)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,12-13,27H,10-11,14H2,(H,22,25).
What are the key properties of N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 58465681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).