N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C22H22N4O — CID 112852636

IUPACN-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O/c27-22(23-16-17-9-3-1-4-10-17)19-15-20(26-13-7-8-14-26)25-21(24-19)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2,(H,23,27)
InChIKeyMMXZWQQIZXRMAQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.67
Rot. Bonds5

About N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 112852636) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID112852636
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O/c27-22(23-16-17-9-3-1-4-10-17)19-15-20(26-13-7-8-14-26)25-21(24-19)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2,(H,23,27)
InChIKeyMMXZWQQIZXRMAQ-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide 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)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852645
N-[(4-methoxyphenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852647
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852907
6-(3-methylpiperidin-1-yl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112854110
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
N-[(2-methylphenyl)methyl]-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853415
N-(furan-2-ylmethyl)-6-(4-methylpiperazin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112853775
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369880

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 112852636) is N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(NCc1ccccc1)c1cc(N2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is MMXZWQQIZXRMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(23-16-17-9-3-1-4-10-17)19-15-20(26-13-7-8-14-26)25-21(24-19)18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14,16H2,(H,23,27).
What are the key properties of N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).