4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide

C18H15N5O2 — CID 71711986

IUPAC4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C18H15N5O2/c19-16-15(11-3-7-13(8-4-11)18(21)25)23-14(9-22-16)10-1-5-12(6-2-10)17(20)24/h1-9H,(H2,19,22)(H2,20,24)(H2,21,25)
InChIKeyKKJXMTLYNLAKNL-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.59
Rot. Bonds4

About 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide

4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide (PubChem CID 71711986) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide
PubChem CID71711986
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C18H15N5O2/c19-16-15(11-3-7-13(8-4-11)18(21)25)23-14(9-22-16)10-1-5-12(6-2-10)17(20)24/h1-9H,(H2,19,22)(H2,20,24)(H2,21,25)
InChIKeyKKJXMTLYNLAKNL-UHFFFAOYSA-N
XLogP1.59
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide?
The IUPAC name of 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide (CID 71711986) is 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide is NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)cc3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide?
The InChIKey is KKJXMTLYNLAKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-16-15(11-3-7-13(8-4-11)18(21)25)23-14(9-22-16)10-1-5-12(6-2-10)17(20)24/h1-9H,(H2,19,22)(H2,20,24)(H2,21,25).
What are the key properties of 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide?
4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide has a molecular weight of 333.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(4-carbamoylphenyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 71711986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).