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

C14H16N4O3 — CID 58465708

IUPACN-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCn1cccc1C(=O)N1CCn2cc(C(=O)NO)cc2C1
InChIInChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)
InChIKeyHXYDFXUSMZJLIU-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.60
Rot. Bonds2

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

N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 58465708) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID58465708
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCn1cccc1C(=O)N1CCn2cc(C(=O)NO)cc2C1
InChIInChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19)
InChIKeyHXYDFXUSMZJLIU-UHFFFAOYSA-N
XLogP0.60
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.60
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-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 58465708) is N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is Cn1cccc1C(=O)N1CCn2cc(C(=O)NO)cc2C1.
What is the InChIKey of N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is HXYDFXUSMZJLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-16-4-2-3-12(16)14(20)18-6-5-17-8-10(13(19)15-21)7-11(17)9-18/h2-4,7-8,21H,5-6,9H2,1H3,(H,15,19).
What are the key properties of N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 58465708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).