N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide

C16H18FN5O3 — CID 90634355

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C16H18FN5O3/c17-11-8-18-16(19-9-11)25-13-5-3-12(4-6-13)21-14(23)10-22-15(24)2-1-7-20-22/h1-2,7-9,12-13H,3-6,10H2,(H,21,23)
InChIKeyFTJRKOAHAZHXDD-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.68
Rot. Bonds5

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 90634355) has the molecular formula C16H18FN5O3 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID90634355
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C16H18FN5O3/c17-11-8-18-16(19-9-11)25-13-5-3-12(4-6-13)21-14(23)10-22-15(24)2-1-7-20-22/h1-2,7-9,12-13H,3-6,10H2,(H,21,23)
InChIKeyFTJRKOAHAZHXDD-UHFFFAOYSA-N
XLogP0.68
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 90634355) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide is O=C(Cn1ncccc1=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is FTJRKOAHAZHXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c17-11-8-18-16(19-9-11)25-13-5-3-12(4-6-13)21-14(23)10-22-15(24)2-1-7-20-22/h1-2,7-9,12-13H,3-6,10H2,(H,21,23).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 347.35 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 90634355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).