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

C13H13N3O3S — CID 58465588

IUPACN-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NO)c1cc2n(c1)CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C13H13N3O3S/c17-12(14-19)9-6-10-8-16(4-3-15(10)7-9)13(18)11-2-1-5-20-11/h1-2,5-7,19H,3-4,8H2,(H,14,17)
InChIKeyCRVYDVAFHGWYCR-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.32
Rot. Bonds2

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

N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 58465588) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID58465588
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NO)c1cc2n(c1)CCN(C(=O)c1cccs1)C2
InChIInChI=1S/C13H13N3O3S/c17-12(14-19)9-6-10-8-16(4-3-15(10)7-9)13(18)11-2-1-5-20-11/h1-2,5-7,19H,3-4,8H2,(H,14,17)
InChIKeyCRVYDVAFHGWYCR-UHFFFAOYSA-N
XLogP1.32
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 58465588) is N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is O=C(NO)c1cc2n(c1)CCN(C(=O)c1cccs1)C2.
What is the InChIKey of N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is CRVYDVAFHGWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-12(14-19)9-6-10-8-16(4-3-15(10)7-9)13(18)11-2-1-5-20-11/h1-2,5-7,19H,3-4,8H2,(H,14,17).
What are the key properties of N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(thiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 58465588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).