4-(3-aminopyrazin-2-yl)-N-benzylbenzamide

C18H16N4O — CID 118046170

IUPAC4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
SMILESNc1nccnc1-c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H16N4O/c19-17-16(20-10-11-21-17)14-6-8-15(9-7-14)18(23)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,19,21)(H,22,23)
InChIKeyMBQLFUKZXWUZAR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.66
Rot. Bonds4

About 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide

4-(3-aminopyrazin-2-yl)-N-benzylbenzamide (PubChem CID 118046170) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide.

Molecular Properties

Compound Name4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
PubChem CID118046170
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-(3-aminopyrazin-2-yl)-N-benzylbenzamide
SMILESNc1nccnc1-c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C18H16N4O/c19-17-16(20-10-11-21-17)14-6-8-15(9-7-14)18(23)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,19,21)(H,22,23)
InChIKeyMBQLFUKZXWUZAR-UHFFFAOYSA-N
XLogP2.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopyrazin-2-yl)-N-benzyl-2-fluorobenzamide
CID 134503879
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68651367
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-(2-amino-3-pyridinyl)-4-[[(4-phenylphenyl)methylcarbamoylamino]methyl]benzamide
CID 44595113
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide
CID 126854250
4-(3-aminopyrazin-2-yl)-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 134503855
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
6-amino-N-benzyl-5-chloropyridine-3-carboxamide
CID 62153073

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide?
The IUPAC name of 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide (CID 118046170) is 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide.
What is the SMILES notation for 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide?
The canonical SMILES for 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide is Nc1nccnc1-c1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide?
The InChIKey is MBQLFUKZXWUZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-17-16(20-10-11-21-17)14-6-8-15(9-7-14)18(23)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,19,21)(H,22,23).
What are the key properties of 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide?
4-(3-aminopyrazin-2-yl)-N-benzylbenzamide has a molecular weight of 304.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazin-2-yl)-N-benzylbenzamide is sourced from PubChem (CID 118046170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).