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

C23H19N5O2 — CID 56962638

IUPAC2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2O)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H19N5O2/c1-15-8-9-17(26-22(30)18-6-2-3-7-21(18)29)13-20(15)28-23-25-12-10-19(27-23)16-5-4-11-24-14-16/h2-14,29H,1H3,(H,26,30)(H,25,27,28)
InChIKeyCVLAKLGORJOIAL-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.55
Rot. Bonds5

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

2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 56962638) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID56962638
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2O)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C23H19N5O2/c1-15-8-9-17(26-22(30)18-6-2-3-7-21(18)29)13-20(15)28-23-25-12-10-19(27-23)16-5-4-11-24-14-16/h2-14,29H,1H3,(H,26,30)(H,25,27,28)
InChIKeyCVLAKLGORJOIAL-UHFFFAOYSA-N
XLogP4.55
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 56962638) is 2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2O)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is CVLAKLGORJOIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-15-8-9-17(26-22(30)18-6-2-3-7-21(18)29)13-20(15)28-23-25-12-10-19(27-23)16-5-4-11-24-14-16/h2-14,29H,1H3,(H,26,30)(H,25,27,28).
What are the key properties of 2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 397.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 56962638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).