4-amino-N-(pyrazin-2-ylmethyl)benzamide

C12H12N4O — CID 110476278

IUPAC4-amino-N-(pyrazin-2-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2cnccn2)cc1
InChIInChI=1S/C12H12N4O/c13-10-3-1-9(2-4-10)12(17)16-8-11-7-14-5-6-15-11/h1-7H,8,13H2,(H,16,17)
InChIKeyRPTDTOWHSRQGAI-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.99
Rot. Bonds3

About 4-amino-N-(pyrazin-2-ylmethyl)benzamide

4-amino-N-(pyrazin-2-ylmethyl)benzamide (PubChem CID 110476278) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-amino-N-(pyrazin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(pyrazin-2-ylmethyl)benzamide
PubChem CID110476278
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name4-amino-N-(pyrazin-2-ylmethyl)benzamide
SMILESNc1ccc(C(=O)NCc2cnccn2)cc1
InChIInChI=1S/C12H12N4O/c13-10-3-1-9(2-4-10)12(17)16-8-11-7-14-5-6-15-11/h1-7H,8,13H2,(H,16,17)
InChIKeyRPTDTOWHSRQGAI-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.99
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-amino-3-methyl-N-(pyrazin-2-ylmethyl)benzamide
CID 110476152
4-amino-N-pyrazin-2-ylbenzamide
CID 43616023
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
2-oxo-N-(pyrazin-2-ylmethyl)acetamide
CID 90048439
N'-(4-aminobenzoyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518379
3-bromo-N-(pyrazin-2-ylmethyl)furan-2-carboxamide
CID 171841704
6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide
CID 89088351
N-propan-2-yl-4-(pyrazin-2-ylmethylamino)benzamide
CID 62763062
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(pyrazin-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-N-(pyrazin-2-ylmethyl)benzamide (CID 110476278) is 4-amino-N-(pyrazin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-N-(pyrazin-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-N-(pyrazin-2-ylmethyl)benzamide is Nc1ccc(C(=O)NCc2cnccn2)cc1.
What is the InChIKey of 4-amino-N-(pyrazin-2-ylmethyl)benzamide?
The InChIKey is RPTDTOWHSRQGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-10-3-1-9(2-4-10)12(17)16-8-11-7-14-5-6-15-11/h1-7H,8,13H2,(H,16,17).
What are the key properties of 4-amino-N-(pyrazin-2-ylmethyl)benzamide?
4-amino-N-(pyrazin-2-ylmethyl)benzamide has a molecular weight of 228.26 g/mol, XLogP of 0.99, 3 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-ylmethyl)benzamide is sourced from PubChem (CID 110476278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).