N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide

C16H18FN5O3 — CID 90634138

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)ccc1=O
InChIInChI=1S/C16H18FN5O3/c1-22-14(23)7-6-13(21-22)15(24)20-11-2-4-12(5-3-11)25-16-18-8-10(17)9-19-16/h6-9,11-12H,2-5H2,1H3,(H,20,24)
InChIKeyHGWKKKSHMXNHDH-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.83
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 90634138) 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]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID90634138
Molecular FormulaC16H18FN5O3
Molecular Weight347.35 g/mol
Exact Mass347.14
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)ccc1=O
InChIInChI=1S/C16H18FN5O3/c1-22-14(23)7-6-13(21-22)15(24)20-11-2-4-12(5-3-11)25-16-18-8-10(17)9-19-16/h6-9,11-12H,2-5H2,1H3,(H,20,24)
InChIKeyHGWKKKSHMXNHDH-UHFFFAOYSA-N
XLogP0.83
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1r,4r)-4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]-6-oxo-1,6-dihydronicotinamide
CID 91626358
N-[4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]-(S)-3-cyclohexene-1-carboxamide
CID 100750172
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 90634124
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 90634131
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 90634139
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)propanamide
CID 90634151
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)pent-4-enamide
CID 90634155
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)butyramide
CID 90634165
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)propionamide
CID 90634166
(E)-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)but-2-enamide
CID 90634181
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-3-methylbut-2-enamide
CID 90634343
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-2-(6-oxopyridazin-1(6H)-yl)acetamide
CID 90634355

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 90634138) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)ccc1=O.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is HGWKKKSHMXNHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O3/c1-22-14(23)7-6-13(21-22)15(24)20-11-2-4-12(5-3-11)25-16-18-8-10(17)9-19-16/h6-9,11-12H,2-5H2,1H3,(H,20,24).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 0.83, 4 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]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 90634138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).