N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

C23H27FN4O2 — CID 124987605

IUPACN-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCc1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)nc(C)c1CC(=O)NC1CC1
InChIInChI=1S/C23H27FN4O2/c1-14-20(12-21(29)27-19-6-7-19)15(2)26-23(25-14)17-8-9-28(13-17)22(30)11-16-4-3-5-18(24)10-16/h3-5,10,17,19H,6-9,11-13H2,1-2H3,(H,27,29)/t17-/m1/s1
InChIKeyOHFBVUICGRXEMM-QGZVFWFLSA-N
MW410.49 g/mol
LogP2.61
Rot. Bonds6

About N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (PubChem CID 124987605) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
PubChem CID124987605
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC NameN-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCc1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)nc(C)c1CC(=O)NC1CC1
InChIInChI=1S/C23H27FN4O2/c1-14-20(12-21(29)27-19-6-7-19)15(2)26-23(25-14)17-8-9-28(13-17)22(30)11-16-4-3-5-18(24)10-16/h3-5,10,17,19H,6-9,11-13H2,1-2H3,(H,27,29)/t17-/m1/s1
InChIKeyOHFBVUICGRXEMM-QGZVFWFLSA-N
XLogP2.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110083373
N-cyclohexyl-2-[4,6-dimethyl-2-[(3S)-1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]pyrimidin-5-yl]acetamide
CID 124973262
N-cyclopropyl-2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083297
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
N-cyclohexyl-2-[2-[(3R)-1-(2-cyclohexylacetyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124995261
N-cyclohexyl-2-[2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 110088530
1-[4-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110148907
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
N-cyclopropyl-2-[2-[(3S)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124946965
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124967312
2-[2-[1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083301

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (CID 124987605) is N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is Cc1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)nc(C)c1CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The InChIKey is OHFBVUICGRXEMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-14-20(12-21(29)27-19-6-7-19)15(2)26-23(25-14)17-8-9-28(13-17)22(30)11-16-4-3-5-18(24)10-16/h3-5,10,17,19H,6-9,11-13H2,1-2H3,(H,27,29)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide has a molecular weight of 410.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[(3R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 124987605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).