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

C20H27N3O3 — CID 58465782

IUPAC2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC1Cn2cc(C(=O)NO)cc2CN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O3/c1-12-9-22-10-16(18(24)21-26)5-17(22)11-23(12)19(25)20-6-13-2-14(7-20)4-15(3-13)8-20/h5,10,12-15,26H,2-4,6-9,11H2,1H3,(H,21,24)
InChIKeyHFBZPLPNBVRKIU-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.55
Rot. Bonds2

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

2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 58465782) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID58465782
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCC1Cn2cc(C(=O)NO)cc2CN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H27N3O3/c1-12-9-22-10-16(18(24)21-26)5-17(22)11-23(12)19(25)20-6-13-2-14(7-20)4-15(3-13)8-20/h5,10,12-15,26H,2-4,6-9,11H2,1H3,(H,21,24)
InChIKeyHFBZPLPNBVRKIU-UHFFFAOYSA-N
XLogP2.55
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.55
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 2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 58465782) is 2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is CC1Cn2cc(C(=O)NO)cc2CN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is HFBZPLPNBVRKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12-9-22-10-16(18(24)21-26)5-17(22)11-23(12)19(25)20-6-13-2-14(7-20)4-15(3-13)8-20/h5,10,12-15,26H,2-4,6-9,11H2,1H3,(H,21,24).
What are the key properties of 2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonyl)-N-hydroxy-3-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 58465782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).