4-amino-N-pyrazin-2-ylbenzamide

C11H10N4O — CID 43616023

IUPAC4-amino-N-pyrazin-2-ylbenzamide
SMILESNc1ccc(C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C11H10N4O/c12-9-3-1-8(2-4-9)11(16)15-10-7-13-5-6-14-10/h1-7H,12H2,(H,14,15,16)
InChIKeyQXVHIDQFHPSBRS-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.31
Rot. Bonds2

About 4-amino-N-pyrazin-2-ylbenzamide

4-amino-N-pyrazin-2-ylbenzamide (PubChem CID 43616023) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-amino-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-N-pyrazin-2-ylbenzamide
PubChem CID43616023
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-amino-N-pyrazin-2-ylbenzamide
SMILESNc1ccc(C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C11H10N4O/c12-9-3-1-8(2-4-9)11(16)15-10-7-13-5-6-14-10/h1-7H,12H2,(H,14,15,16)
InChIKeyQXVHIDQFHPSBRS-UHFFFAOYSA-N
XLogP1.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-pyrazin-2-ylbenzamide
CID 43422735
6-fluoro-N-pyrazin-2-ylpyridine-3-carboxamide
CID 63971040
4-propoxy-N-pyrazin-2-ylbenzamide
CID 71727773
3,5-dihydroxy-N-pyrazin-2-ylbenzamide
CID 107703696
3-hydroxy-4-methyl-N-pyrazin-2-ylbenzamide
CID 43616193
2-amino-N-pyrazin-2-yl-1,3-benzothiazole-6-carboxamide
CID 65349486
4-amino-N-(pyrazin-2-ylmethyl)benzamide
CID 110476278
N-pyrazin-2-yl-1H-indazole-6-carboxamide
CID 62907016
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
2-amino-3-methyl-N-pyrazin-2-ylbenzamide
CID 43616017
2-amino-4-chloro-N-pyrazin-2-ylbenzamide
CID 43616024

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyrazin-2-ylbenzamide?
The IUPAC name of 4-amino-N-pyrazin-2-ylbenzamide (CID 43616023) is 4-amino-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 4-amino-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 4-amino-N-pyrazin-2-ylbenzamide is Nc1ccc(C(=O)Nc2cnccn2)cc1.
What is the InChIKey of 4-amino-N-pyrazin-2-ylbenzamide?
The InChIKey is QXVHIDQFHPSBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-9-3-1-8(2-4-9)11(16)15-10-7-13-5-6-14-10/h1-7H,12H2,(H,14,15,16).
What are the key properties of 4-amino-N-pyrazin-2-ylbenzamide?
4-amino-N-pyrazin-2-ylbenzamide has a molecular weight of 214.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 43616023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).