4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide

C18H13N5O — CID 45488854

IUPAC4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide
SMILESN#Cc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C18H13N5O/c19-9-11-1-3-12(4-2-11)15-10-22-17(20)16(23-15)13-5-7-14(8-6-13)18(21)24/h1-8,10H,(H2,20,22)(H2,21,24)
InChIKeyZWFCIIMMGKHHGA-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.36
Rot. Bonds3

About 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide

4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide (PubChem CID 45488854) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide
PubChem CID45488854
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide
SMILESN#Cc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C18H13N5O/c19-9-11-1-3-12(4-2-11)15-10-22-17(20)16(23-15)13-5-7-14(8-6-13)18(21)24/h1-8,10H,(H2,20,22)(H2,21,24)
InChIKeyZWFCIIMMGKHHGA-UHFFFAOYSA-N
XLogP2.36
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminophenyl)-4-(3-cyanopyridin-2-yl)benzamide
CID 11544171
[4-[5-Amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 71711915
N-(pyridin-2-yl)biphenyl-4-carboxamide
CID 669449
N-(5-Phenylacetylamino-pyridin-2-yl)-benzamide
CID 1449146
4-methyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
CID 2768253
[4-[6-Amino-5-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71455663
3-amino-6-[4-[2-(dimethylamino)ethyl-methylcarbamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10139154
N-(2-aminophenyl)-4-((6-(pyridin-3-yl)pyrazin-2-ylamino)methyl)benzamide
CID 11603622
Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrrolidin-1-yl)-pyridin-3-yl]-amide
CID 11610423
4-((2,3''-bipyridin-6-ylamino)methyl)-N-(2-aminophenyl)benzamide
CID 44570642
N-(6-amino-3-pyridinyl)-5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzamide
CID 44571916
3-amino-6-(2-cyanophenyl)-N-phenylpyrazine-2-carboxamide
CID 52937253

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide?
The IUPAC name of 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide (CID 45488854) is 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide is N#Cc1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)n2)cc1.
What is the InChIKey of 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide?
The InChIKey is ZWFCIIMMGKHHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c19-9-11-1-3-12(4-2-11)15-10-22-17(20)16(23-15)13-5-7-14(8-6-13)18(21)24/h1-8,10H,(H2,20,22)(H2,21,24).
What are the key properties of 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide?
4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide has a molecular weight of 315.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 45488854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).