2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

C14H14Cl2N4O3 — CID 58465719

IUPAC2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCn1c(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N4O3/c1-18-11(5-10(15)12(18)16)14(22)20-3-2-19-6-8(13(21)17-23)4-9(19)7-20/h4-6,23H,2-3,7H2,1H3,(H,17,21)
InChIKeyGPVDZHZKWSWTAW-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.91
Rot. Bonds2

About 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide

2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 58465719) has the molecular formula C14H14Cl2N4O3 and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID58465719
Molecular FormulaC14H14Cl2N4O3
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCn1c(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cc(Cl)c1Cl
InChIInChI=1S/C14H14Cl2N4O3/c1-18-11(5-10(15)12(18)16)14(22)20-3-2-19-6-8(13(21)17-23)4-9(19)7-20/h4-6,23H,2-3,7H2,1H3,(H,17,21)
InChIKeyGPVDZHZKWSWTAW-UHFFFAOYSA-N
XLogP1.91
TPSA79.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.91
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 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 58465719) is 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is Cn1c(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cc(Cl)c1Cl.
What is the InChIKey of 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is GPVDZHZKWSWTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O3/c1-18-11(5-10(15)12(18)16)14(22)20-3-2-19-6-8(13(21)17-23)4-9(19)7-20/h4-6,23H,2-3,7H2,1H3,(H,17,21).
What are the key properties of 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 357.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 58465719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).