2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide

C22H23FN6O — CID 92616809

IUPAC2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN6O/c1-14-9-15(16-11-25-22(24)26-12-16)10-19(27-14)20-3-2-8-29(20)13-21(30)28-18-6-4-17(23)5-7-18/h4-7,9-12,20H,2-3,8,13H2,1H3,(H,28,30)(H2,24,25,26)/t20-/m1/s1
InChIKeyDAVKQBSDCBMBAH-HXUWFJFHSA-N
MW406.47 g/mol
LogP3.34
Rot. Bonds5

About 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 92616809) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID92616809
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C22H23FN6O/c1-14-9-15(16-11-25-22(24)26-12-16)10-19(27-14)20-3-2-8-29(20)13-21(30)28-18-6-4-17(23)5-7-18/h4-7,9-12,20H,2-3,8,13H2,1H3,(H,28,30)(H2,24,25,26)/t20-/m1/s1
InChIKeyDAVKQBSDCBMBAH-HXUWFJFHSA-N
XLogP3.34
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 92616809) is 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide is Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN2CC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is DAVKQBSDCBMBAH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-14-9-15(16-11-25-22(24)26-12-16)10-19(27-14)20-3-2-8-29(20)13-21(30)28-18-6-4-17(23)5-7-18/h4-7,9-12,20H,2-3,8,13H2,1H3,(H,28,30)(H2,24,25,26)/t20-/m1/s1.
What are the key properties of 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 406.47 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 92616809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).