2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide

C23H25FN6O — CID 95813297

IUPAC2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)nc(Nc2ccc([C@H]3CCCN3CC(=O)Nc3ccc(F)cc3)nc2)n1
InChIInChI=1S/C23H25FN6O/c1-15-12-16(2)27-23(26-15)29-19-9-10-20(25-13-19)21-4-3-11-30(21)14-22(31)28-18-7-5-17(24)6-8-18/h5-10,12-13,21H,3-4,11,14H2,1-2H3,(H,28,31)(H,26,27,29)/t21-/m1/s1
InChIKeyNTLKWTCIWCPWOR-OAQYLSRUSA-N
MW420.49 g/mol
LogP4.15
Rot. Bonds6

About 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide

2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 95813297) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID95813297
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)nc(Nc2ccc([C@H]3CCCN3CC(=O)Nc3ccc(F)cc3)nc2)n1
InChIInChI=1S/C23H25FN6O/c1-15-12-16(2)27-23(26-15)29-19-9-10-20(25-13-19)21-4-3-11-30(21)14-22(31)28-18-7-5-17(24)6-8-18/h5-10,12-13,21H,3-4,11,14H2,1-2H3,(H,28,31)(H,26,27,29)/t21-/m1/s1
InChIKeyNTLKWTCIWCPWOR-OAQYLSRUSA-N
XLogP4.15
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110252149
2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95834120
N-(4-fluorophenyl)-2-[2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252151
N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252150
2-[(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 92616809
N-(4-fluorophenyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546400
N-(4-methoxyphenyl)-2-[(2S)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832590
N-(4-methoxyphenyl)-2-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95832591
2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8831276
N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 35244187
N'-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-N-(4-fluorophenyl)butanediamide
CID 108768464
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide (CID 95813297) is 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide is Cc1cc(C)nc(Nc2ccc([C@H]3CCCN3CC(=O)Nc3ccc(F)cc3)nc2)n1.
What is the InChIKey of 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is NTLKWTCIWCPWOR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-15-12-16(2)27-23(26-15)29-19-9-10-20(25-13-19)21-4-3-11-30(21)14-22(31)28-18-7-5-17(24)6-8-18/h5-10,12-13,21H,3-4,11,14H2,1-2H3,(H,28,31)(H,26,27,29)/t21-/m1/s1.
What are the key properties of 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 95813297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).