N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

C21H20N4O — CID 53108527

IUPACN-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C21H20N4O/c26-20(24-19-6-2-1-3-7-19)17-10-8-16(9-11-17)18-14-22-21(23-15-18)25-12-4-5-13-25/h1-3,6-11,14-15H,4-5,12-13H2,(H,24,26)
InChIKeyMAPDTPORMQYKBC-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.00
Rot. Bonds4

About N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53108527) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53108527
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C21H20N4O/c26-20(24-19-6-2-1-3-7-19)17-10-8-16(9-11-17)18-14-22-21(23-15-18)25-12-4-5-13-25/h1-3,6-11,14-15H,4-5,12-13H2,(H,24,26)
InChIKeyMAPDTPORMQYKBC-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108537
N-(4-bromophenyl)-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108581
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108518
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-(4-chlorophenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 46382606
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (CID 53108527) is N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1ccccc1)c1ccc(-c2cnc(N3CCCC3)nc2)cc1.
What is the InChIKey of N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is MAPDTPORMQYKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-20(24-19-6-2-1-3-7-19)17-10-8-16(9-11-17)18-14-22-21(23-15-18)25-12-4-5-13-25/h1-3,6-11,14-15H,4-5,12-13H2,(H,24,26).
What are the key properties of N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 344.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53108527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).