N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C23H22N4O2 — CID 112852692

IUPACN-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(N3CCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H22N4O2/c1-16(28)18-10-7-11-19(14-18)24-23(29)20-15-21(27-12-5-6-13-27)26-22(25-20)17-8-3-2-4-9-17/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,24,29)
InChIKeySLBQXBVPQVMDIA-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.20
Rot. Bonds5

About N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 112852692) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID112852692
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(N3CCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H22N4O2/c1-16(28)18-10-7-11-19(14-18)24-23(29)20-15-21(27-12-5-6-13-27)26-22(25-20)17-8-3-2-4-9-17/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,24,29)
InChIKeySLBQXBVPQVMDIA-UHFFFAOYSA-N
XLogP4.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854430
N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852927
1-[3-[[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112881688
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853043
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
N-benzyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852636
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
N-(3-acetylphenyl)-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851322
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 112852692) is N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(N3CCCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is SLBQXBVPQVMDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16(28)18-10-7-11-19(14-18)24-23(29)20-15-21(27-12-5-6-13-27)26-22(25-20)17-8-3-2-4-9-17/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,24,29).
What are the key properties of N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).