N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide

C15H16FN5O3 — CID 90634139

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H16FN5O3/c16-9-7-17-15(18-8-9)24-11-3-1-10(2-4-11)19-14(23)12-5-6-13(22)21-20-12/h5-8,10-11H,1-4H2,(H,19,23)(H,21,22)
InChIKeyNQTYNVOSNWCBNK-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.82
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 90634139) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID90634139
Molecular FormulaC15H16FN5O3
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C15H16FN5O3/c16-9-7-17-15(18-8-9)24-11-3-1-10(2-4-11)19-14(23)12-5-6-13(22)21-20-12/h5-8,10-11H,1-4H2,(H,19,23)(H,21,22)
InChIKeyNQTYNVOSNWCBNK-UHFFFAOYSA-N
XLogP0.82
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 90634139) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is NQTYNVOSNWCBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c16-9-7-17-15(18-8-9)24-11-3-1-10(2-4-11)19-14(23)12-5-6-13(22)21-20-12/h5-8,10-11H,1-4H2,(H,19,23)(H,21,22).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 333.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 90634139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).