4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

C23H19N5O — CID 10110378

IUPAC4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1
InChIInChI=1S/C23H19N5O/c1-16-7-9-17(10-8-16)22(29)26-19-5-2-6-20(14-19)27-23-25-13-11-21(28-23)18-4-3-12-24-15-18/h2-15H,1H3,(H,26,29)(H,25,27,28)
InChIKeyQGIRAHZKAGRURU-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.84
Rot. Bonds5

About 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 10110378) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID10110378
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1
InChIInChI=1S/C23H19N5O/c1-16-7-9-17(10-8-16)22(29)26-19-5-2-6-20(14-19)27-23-25-13-11-21(28-23)18-4-3-12-24-15-18/h2-15H,1H3,(H,26,29)(H,25,27,28)
InChIKeyQGIRAHZKAGRURU-UHFFFAOYSA-N
XLogP4.84
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 10110378) is 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is QGIRAHZKAGRURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-16-7-9-17(10-8-16)22(29)26-19-5-2-6-20(14-19)27-23-25-13-11-21(28-23)18-4-3-12-24-15-18/h2-15H,1H3,(H,26,29)(H,25,27,28).
What are the key properties of 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 10110378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).