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

C22H21N3O3 — CID 58465827

IUPACN-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC1Cn2cc(C(=O)NO)cc2CN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-12-24-13-19(21(26)23-28)11-20(24)14-25(15)22(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-11,13,15,28H,12,14H2,1H3,(H,23,26)
InChIKeyYQKLCAKDCKZNHX-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.32
Rot. Bonds3

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

N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 58465827) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID58465827
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC1Cn2cc(C(=O)NO)cc2CN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O3/c1-15-12-24-13-19(21(26)23-28)11-20(24)14-25(15)22(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-11,13,15,28H,12,14H2,1H3,(H,23,26)
InChIKeyYQKLCAKDCKZNHX-UHFFFAOYSA-N
XLogP3.32
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.32
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-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 58465827) is N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is CC1Cn2cc(C(=O)NO)cc2CN1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is YQKLCAKDCKZNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-12-24-13-19(21(26)23-28)11-20(24)14-25(15)22(27)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-11,13,15,28H,12,14H2,1H3,(H,23,26).
What are the key properties of N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 58465827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).