2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

C26H27FN4O2 — CID 92637216

IUPAC2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)cc1C
InChIInChI=1S/C26H27FN4O2/c1-16-6-7-19(13-17(16)2)14-24(32)31-12-4-5-23(31)25-28-15-22(18(3)29-25)26(33)30-21-10-8-20(27)9-11-21/h6-11,13,15,23H,4-5,12,14H2,1-3H3,(H,30,33)/t23-/m1/s1
InChIKeySUBZYAJZWJVREB-HSZRJFAPSA-N
MW446.53 g/mol
LogP4.70
Rot. Bonds5

About 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide

2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 92637216) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID92637216
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)cc1C
InChIInChI=1S/C26H27FN4O2/c1-16-6-7-19(13-17(16)2)14-24(32)31-12-4-5-23(31)25-28-15-22(18(3)29-25)26(33)30-21-10-8-20(27)9-11-21/h6-11,13,15,23H,4-5,12,14H2,1-3H3,(H,30,33)/t23-/m1/s1
InChIKeySUBZYAJZWJVREB-HSZRJFAPSA-N
XLogP4.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-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

2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637215
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247458
2-[(2S)-1-(4-amino-4-oxobutanoyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92639759
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247544
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110076054
N-(4-chlorophenyl)-4-methyl-2-[(2S)-1-(2-pyridin-4-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636755
N-(4-fluorophenyl)-4-methyl-2-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637091
N-(2-fluorophenyl)-4-methyl-2-[(2S)-1-[2-(3-methylphenyl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 129361176
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide (CID 92637216) is 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide is Cc1ccc(CC(=O)N2CCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)cc1C.
What is the InChIKey of 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is SUBZYAJZWJVREB-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-16-6-7-19(13-17(16)2)14-24(32)31-12-4-5-23(31)25-28-15-22(18(3)29-25)26(33)30-21-10-8-20(27)9-11-21/h6-11,13,15,23H,4-5,12,14H2,1-3H3,(H,30,33)/t23-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92637216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).