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

C22H17N5O — CID 11440028

IUPACN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1
InChIInChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
InChIKeyZVXCXEJBPDCMRL-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.53
Rot. Bonds5

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

N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 11440028) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID11440028
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1
InChIInChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27)
InChIKeyZVXCXEJBPDCMRL-UHFFFAOYSA-N
XLogP4.53
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 11440028) is N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1.
What is the InChIKey of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is ZVXCXEJBPDCMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-21(16-6-2-1-3-7-16)25-18-9-4-10-19(14-18)26-22-24-13-11-20(27-22)17-8-5-12-23-15-17/h1-15H,(H,25,28)(H,24,26,27).
What are the key properties of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 11440028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).