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

C16H17N3O4 — CID 87400677

IUPACN-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCOc1ccc(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cc1
InChIInChI=1S/C16H17N3O4/c1-23-14-4-2-11(3-5-14)16(21)19-7-6-18-9-12(15(20)17-22)8-13(18)10-19/h2-5,8-9,22H,6-7,10H2,1H3,(H,17,20)
InChIKeyZBYDKMSHGGWYID-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.27
Rot. Bonds3

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

N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (PubChem CID 87400677) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
PubChem CID87400677
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
SMILESCOc1ccc(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cc1
InChIInChI=1S/C16H17N3O4/c1-23-14-4-2-11(3-5-14)16(21)19-7-6-18-9-12(15(20)17-22)8-13(18)10-19/h2-5,8-9,22H,6-7,10H2,1H3,(H,17,20)
InChIKeyZBYDKMSHGGWYID-UHFFFAOYSA-N
XLogP1.27
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.27
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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Related Compounds

2-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-N-hydroxy-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 58465719
N-hydroxy-6-(4-methoxybenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 56847164
N-hydroxy-2-(5-methyl-1-phenylpyrazole-4-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 58465642
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
4-(4-methoxybenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708980
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 145171330
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(4-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 6467901
N-hydroxy-3-methyl-2-(4-phenylbenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide
CID 58465827

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide (CID 87400677) is N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is COc1ccc(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cc1.
What is the InChIKey of N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is ZBYDKMSHGGWYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-23-14-4-2-11(3-5-14)16(21)19-7-6-18-9-12(15(20)17-22)8-13(18)10-19/h2-5,8-9,22H,6-7,10H2,1H3,(H,17,20).
What are the key properties of N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide?
N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxybenzoyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 87400677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).