4-(N-pyrazin-2-ylanilino)benzamide

C17H14N4O — CID 142741849

IUPAC4-(N-pyrazin-2-ylanilino)benzamide
SMILESNC(=O)c1ccc(N(c2ccccc2)c2cnccn2)cc1
InChIInChI=1S/C17H14N4O/c18-17(22)13-6-8-15(9-7-13)21(14-4-2-1-3-5-14)16-12-19-10-11-20-16/h1-12H,(H2,18,22)
InChIKeyRJRUVQQTJPVPPN-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.05
Rot. Bonds4

About 4-(N-pyrazin-2-ylanilino)benzamide

4-(N-pyrazin-2-ylanilino)benzamide (PubChem CID 142741849) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-(N-pyrazin-2-ylanilino)benzamide.

Molecular Properties

Compound Name4-(N-pyrazin-2-ylanilino)benzamide
PubChem CID142741849
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-(N-pyrazin-2-ylanilino)benzamide
SMILESNC(=O)c1ccc(N(c2ccccc2)c2cnccn2)cc1
InChIInChI=1S/C17H14N4O/c18-17(22)13-6-8-15(9-7-13)21(14-4-2-1-3-5-14)16-12-19-10-11-20-16/h1-12H,(H2,18,22)
InChIKeyRJRUVQQTJPVPPN-UHFFFAOYSA-N
XLogP3.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(N-pyrazin-2-ylanilino)benzamide?
The IUPAC name of 4-(N-pyrazin-2-ylanilino)benzamide (CID 142741849) is 4-(N-pyrazin-2-ylanilino)benzamide.
What is the SMILES notation for 4-(N-pyrazin-2-ylanilino)benzamide?
The canonical SMILES for 4-(N-pyrazin-2-ylanilino)benzamide is NC(=O)c1ccc(N(c2ccccc2)c2cnccn2)cc1.
What is the InChIKey of 4-(N-pyrazin-2-ylanilino)benzamide?
The InChIKey is RJRUVQQTJPVPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-17(22)13-6-8-15(9-7-13)21(14-4-2-1-3-5-14)16-12-19-10-11-20-16/h1-12H,(H2,18,22).
What are the key properties of 4-(N-pyrazin-2-ylanilino)benzamide?
4-(N-pyrazin-2-ylanilino)benzamide has a molecular weight of 290.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-pyrazin-2-ylanilino)benzamide is sourced from PubChem (CID 142741849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).