4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide

C16H13N5O — CID 69235477

IUPAC4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C16H13N5O/c17-15(22)12-1-3-13(4-2-12)20-16-19-10-7-14(21-16)11-5-8-18-9-6-11/h1-10H,(H2,17,22)(H,19,20,21)
InChIKeyQLRJKSZJERCVFL-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.38
Rot. Bonds4

About 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide

4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 69235477) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
PubChem CID69235477
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C16H13N5O/c17-15(22)12-1-3-13(4-2-12)20-16-19-10-7-14(21-16)11-5-8-18-9-6-11/h1-10H,(H2,17,22)(H,19,20,21)
InChIKeyQLRJKSZJERCVFL-UHFFFAOYSA-N
XLogP2.38
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-pyrrol-1-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 58599454
4-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 11715896
4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide
CID 142946370
4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
CID 22142690
4-[[4-(4-butylsulfanylphenyl)pyrimidin-2-yl]amino]benzamide
CID 142145636
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978
4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide
CID 44580824
methyl 4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzoate
CID 68901316
4-[[4-[4-(4-chlorocyclohexa-2,4-dien-1-yl)sulfonylphenyl]pyrimidin-2-yl]amino]benzamide
CID 71056045
4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 142145525
3-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]benzamide
CID 59588181

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide (CID 69235477) is 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide is NC(=O)c1ccc(Nc2nccc(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is QLRJKSZJERCVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-15(22)12-1-3-13(4-2-12)20-16-19-10-7-14(21-16)11-5-8-18-9-6-11/h1-10H,(H2,17,22)(H,19,20,21).
What are the key properties of 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide?
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 291.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 69235477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).