N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide

C22H23N5O — CID 44522148

IUPACN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C22H23N5O/c1-16-15-20(27-13-5-6-14-27)26-22(23-16)25-19-11-9-18(10-12-19)24-21(28)17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyVAAKHIDPVGTDLP-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.38
Rot. Bonds5

About N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide

N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 44522148) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID44522148
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C22H23N5O/c1-16-15-20(27-13-5-6-14-27)26-22(23-16)25-19-11-9-18(10-12-19)24-21(28)17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,24,28)(H,23,25,26)
InChIKeyVAAKHIDPVGTDLP-UHFFFAOYSA-N
XLogP4.38
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 44522148) is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide is Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is VAAKHIDPVGTDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-15-20(27-13-5-6-14-27)26-22(23-16)25-19-11-9-18(10-12-19)24-21(28)17-7-3-2-4-8-17/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide?
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 44522148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).