3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide

C13H13N5O4 — CID 43039205

IUPAC3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H13N5O4/c14-12-11(15-5-6-16-12)13(20)17-7-10(19)8-1-3-9(4-2-8)18(21)22/h1-6,10,19H,7H2,(H2,14,16)(H,17,20)
InChIKeyYFNHWQVPUXGMNH-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.43
Rot. Bonds5

About 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide

3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 43039205) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID43039205
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC Name3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H13N5O4/c14-12-11(15-5-6-16-12)13(20)17-7-10(19)8-1-3-9(4-2-8)18(21)22/h1-6,10,19H,7H2,(H2,14,16)(H,17,20)
InChIKeyYFNHWQVPUXGMNH-UHFFFAOYSA-N
XLogP0.43
TPSA144.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyridine-4-carboxamide
CID 43004373
3,5-difluoro-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 41176072
2-ethyl-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 96997209
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 40952744
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide
CID 40952776
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclopropanecarboxamide
CID 94052165
2-benzyl-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 31617514
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methoxybenzamide
CID 2382187
N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]cyclobutanecarboxamide
CID 51716100
3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide
CID 111115685
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 8961150
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 75403133

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide (CID 43039205) is 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCC(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is YFNHWQVPUXGMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c14-12-11(15-5-6-16-12)13(20)17-7-10(19)8-1-3-9(4-2-8)18(21)22/h1-6,10,19H,7H2,(H2,14,16)(H,17,20).
What are the key properties of 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide?
3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-hydroxy-2-(4-nitrophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 43039205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).