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N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide

C19H23FN4O3 — CID 91911783

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
SMILESCCn1ncc(N2CCC(NC(=O)c3ccc(OC)c(F)c3)CC2)cc1=O
InChIInChI=1S/C19H23FN4O3/c1-3-24-18(25)11-15(12-21-24)23-8-6-14(7-9-23)22-19(26)13-4-5-17(27-2)16(20)10-13/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,22,26)
InChIKeyNGPRWZBDFFTZML-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.81
Rot. Bonds5

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide (PubChem CID 91911783) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
PubChem CID91911783
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
SMILESCCn1ncc(N2CCC(NC(=O)c3ccc(OC)c(F)c3)CC2)cc1=O
InChIInChI=1S/C19H23FN4O3/c1-3-24-18(25)11-15(12-21-24)23-8-6-14(7-9-23)22-19(26)13-4-5-17(27-2)16(20)10-13/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,22,26)
InChIKeyNGPRWZBDFFTZML-UHFFFAOYSA-N
XLogP1.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide (CID 91911783) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide is CCn1ncc(N2CCC(NC(=O)c3ccc(OC)c(F)c3)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide?
The InChIKey is NGPRWZBDFFTZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-3-24-18(25)11-15(12-21-24)23-8-6-14(7-9-23)22-19(26)13-4-5-17(27-2)16(20)10-13/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,22,26).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide has a molecular weight of 374.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 91911783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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