N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide

C25H25FN4O3 — CID 92637215

IUPACN-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C25H25FN4O3/c1-16-20(25(32)29-19-11-9-18(26)10-12-19)15-27-24(28-16)21-7-5-13-30(21)23(31)14-17-6-3-4-8-22(17)33-2/h3-4,6,8-12,15,21H,5,7,13-14H2,1-2H3,(H,29,32)/t21-/m0/s1
InChIKeyHDHLPLLNTWSBCF-NRFANRHFSA-N
MW448.50 g/mol
LogP4.09
Rot. Bonds6

About N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide

N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 92637215) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID92637215
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC NameN-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1ccccc1CC(=O)N1CCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C25H25FN4O3/c1-16-20(25(32)29-19-11-9-18(26)10-12-19)15-27-24(28-16)21-7-5-13-30(21)23(31)14-17-6-3-4-8-22(17)33-2/h3-4,6,8-12,15,21H,5,7,13-14H2,1-2H3,(H,29,32)/t21-/m0/s1
InChIKeyHDHLPLLNTWSBCF-NRFANRHFSA-N
XLogP4.09
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[2-(3,4-dimethylphenyl)acetyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92637216
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
2-[(2S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637229
2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110076054
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
2-[(2S)-1-(4-amino-4-oxobutanoyl)piperidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 92639759
2-[1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110247652
2-[(2S)-1-(2-methoxyacetyl)piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637333
2-[(2S)-1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637163
N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636526
N-(4-fluorophenyl)-2-[(2S)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 129361184
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 92637215) is N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide is COc1ccccc1CC(=O)N1CCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is HDHLPLLNTWSBCF-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-16-20(25(32)29-19-11-9-18(26)10-12-19)15-27-24(28-16)21-7-5-13-30(21)23(31)14-17-6-3-4-8-22(17)33-2/h3-4,6,8-12,15,21H,5,7,13-14H2,1-2H3,(H,29,32)/t21-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide?
N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92637215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).