N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide

C23H23FN6O2 — CID 58447668

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ncncc4F)cc3)nc2)CC1
InChIInChI=1S/C23H23FN6O2/c1-16(31)29-8-10-30(11-9-29)19-6-7-21(26-13-19)28-22(32)12-17-2-4-18(5-3-17)23-20(24)14-25-15-27-23/h2-7,13-15H,8-12H2,1H3,(H,26,28,32)
InChIKeyLMPOVDDTPOUEHO-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.53
Rot. Bonds5

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide (PubChem CID 58447668) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide
PubChem CID58447668
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ncncc4F)cc3)nc2)CC1
InChIInChI=1S/C23H23FN6O2/c1-16(31)29-8-10-30(11-9-29)19-6-7-21(26-13-19)28-22(32)12-17-2-4-18(5-3-17)23-20(24)14-25-15-27-23/h2-7,13-15H,8-12H2,1H3,(H,26,28,32)
InChIKeyLMPOVDDTPOUEHO-UHFFFAOYSA-N
XLogP2.53
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide (CID 58447668) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ncncc4F)cc3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide?
The InChIKey is LMPOVDDTPOUEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-16(31)29-8-10-30(11-9-29)19-6-7-21(26-13-19)28-22(32)12-17-2-4-18(5-3-17)23-20(24)14-25-15-27-23/h2-7,13-15H,8-12H2,1H3,(H,26,28,32).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide has a molecular weight of 434.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-(5-fluoropyrimidin-4-yl)phenyl]acetamide is sourced from PubChem (CID 58447668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).