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

C22H22N4O — CID 112852671

IUPACN-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O/c1-16-9-5-6-12-18(16)24-22(27)19-15-20(26-13-7-8-14-26)25-21(23-19)17-10-3-2-4-11-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,24,27)
InChIKeyWFKLENVTFZUXTQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.30
Rot. Bonds4

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

N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 112852671) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID112852671
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(N2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H22N4O/c1-16-9-5-6-12-18(16)24-22(27)19-15-20(26-13-7-8-14-26)25-21(23-19)17-10-3-2-4-11-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,24,27)
InChIKeyWFKLENVTFZUXTQ-UHFFFAOYSA-N
XLogP4.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
N-(2-acetylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 58148531
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-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853043
N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852645
N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
N-pentyl-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852907
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 112852671) is N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1ccccc1NC(=O)c1cc(N2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is WFKLENVTFZUXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-9-5-6-12-18(16)24-22(27)19-15-20(26-13-7-8-14-26)25-21(23-19)17-10-3-2-4-11-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,24,27).
What are the key properties of N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).