4-[(4-phenylpyrimidin-2-yl)amino]benzamide

C17H14N4O — CID 44627578

IUPAC4-[(4-phenylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21)
InChIKeyNEBNIXUGANAKDR-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.99
Rot. Bonds4

About 4-[(4-phenylpyrimidin-2-yl)amino]benzamide

4-[(4-phenylpyrimidin-2-yl)amino]benzamide (PubChem CID 44627578) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-[(4-phenylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-phenylpyrimidin-2-yl)amino]benzamide
PubChem CID44627578
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name4-[(4-phenylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21)
InChIKeyNEBNIXUGANAKDR-UHFFFAOYSA-N
XLogP2.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of 4-[(4-phenylpyrimidin-2-yl)amino]benzamide (CID 44627578) is 4-[(4-phenylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-phenylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 4-[(4-phenylpyrimidin-2-yl)amino]benzamide is NC(=O)c1ccc(Nc2nccc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[(4-phenylpyrimidin-2-yl)amino]benzamide?
The InChIKey is NEBNIXUGANAKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-16(22)13-6-8-14(9-7-13)20-17-19-11-10-15(21-17)12-4-2-1-3-5-12/h1-11H,(H2,18,22)(H,19,20,21).
What are the key properties of 4-[(4-phenylpyrimidin-2-yl)amino]benzamide?
4-[(4-phenylpyrimidin-2-yl)amino]benzamide has a molecular weight of 290.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 44627578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).