N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide

C18H21FN4O3 — CID 166024325

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(=O)n(C3CCCCC3F)n2)ccc1=O
InChIInChI=1S/C18H21FN4O3/c1-2-22-11-12(7-9-16(22)24)20-18(26)14-8-10-17(25)23(21-14)15-6-4-3-5-13(15)19/h7-11,13,15H,2-6H2,1H3,(H,20,26)
InChIKeyQNWSFSPSGJMAHT-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.13
Rot. Bonds4

About N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide (PubChem CID 166024325) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide
PubChem CID166024325
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(=O)n(C3CCCCC3F)n2)ccc1=O
InChIInChI=1S/C18H21FN4O3/c1-2-22-11-12(7-9-16(22)24)20-18(26)14-8-10-17(25)23(21-14)15-6-4-3-5-13(15)19/h7-11,13,15H,2-6H2,1H3,(H,20,26)
InChIKeyQNWSFSPSGJMAHT-UHFFFAOYSA-N
XLogP2.13
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide (CID 166024325) is N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide is CCn1cc(NC(=O)c2ccc(=O)n(C3CCCCC3F)n2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is QNWSFSPSGJMAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-2-22-11-12(7-9-16(22)24)20-18(26)14-8-10-17(25)23(21-14)15-6-4-3-5-13(15)19/h7-11,13,15H,2-6H2,1H3,(H,20,26).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-1-(2-fluorocyclohexyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 166024325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).