N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide

C23H22FN7O — CID 68566631

IUPACN-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncnc(N3CCC(c4ccc(C#N)cc4)CC3)n2)ccc1F
InChIInChI=1S/C23H22FN7O/c1-15(32)28-21-12-19(6-7-20(21)24)29-22-26-14-27-23(30-22)31-10-8-18(9-11-31)17-4-2-16(13-25)3-5-17/h2-7,12,14,18H,8-11H2,1H3,(H,28,32)(H,26,27,29,30)
InChIKeySXEPIEKDDUFHHC-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.97
Rot. Bonds5

About N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide

N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide (PubChem CID 68566631) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide
PubChem CID68566631
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC NameN-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncnc(N3CCC(c4ccc(C#N)cc4)CC3)n2)ccc1F
InChIInChI=1S/C23H22FN7O/c1-15(32)28-21-12-19(6-7-20(21)24)29-22-26-14-27-23(30-22)31-10-8-18(9-11-31)17-4-2-16(13-25)3-5-17/h2-7,12,14,18H,8-11H2,1H3,(H,28,32)(H,26,27,29,30)
InChIKeySXEPIEKDDUFHHC-UHFFFAOYSA-N
XLogP3.97
TPSA106.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide (CID 68566631) is N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(Nc2ncnc(N3CCC(c4ccc(C#N)cc4)CC3)n2)ccc1F.
What is the InChIKey of N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide?
The InChIKey is SXEPIEKDDUFHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-15(32)28-21-12-19(6-7-20(21)24)29-22-26-14-27-23(30-22)31-10-8-18(9-11-31)17-4-2-16(13-25)3-5-17/h2-7,12,14,18H,8-11H2,1H3,(H,28,32)(H,26,27,29,30).
What are the key properties of N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide?
N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide has a molecular weight of 431.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[4-(4-cyanophenyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 68566631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).