1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide

C18H18F2N4O4 — CID 53338029

IUPAC1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(=O)c(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N4O4/c1-28-15-9-14(25)16(18(27)23-6-4-10(5-7-23)17(21)26)22-24(15)11-2-3-12(19)13(20)8-11/h2-3,8-10H,4-7H2,1H3,(H2,21,26)
InChIKeyIUFKOFKXZISRBQ-UHFFFAOYSA-N
MW392.36 g/mol
LogP0.86
Rot. Bonds4

About 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide

1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 53338029) has the molecular formula C18H18F2N4O4 and a molecular weight of 392.36 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide
PubChem CID53338029
Molecular FormulaC18H18F2N4O4
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(=O)c(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N4O4/c1-28-15-9-14(25)16(18(27)23-6-4-10(5-7-23)17(21)26)22-24(15)11-2-3-12(19)13(20)8-11/h2-3,8-10H,4-7H2,1H3,(H2,21,26)
InChIKeyIUFKOFKXZISRBQ-UHFFFAOYSA-N
XLogP0.86
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide (CID 53338029) is 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide is COc1cc(=O)c(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is IUFKOFKXZISRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O4/c1-28-15-9-14(25)16(18(27)23-6-4-10(5-7-23)17(21)26)22-24(15)11-2-3-12(19)13(20)8-11/h2-3,8-10H,4-7H2,1H3,(H2,21,26).
What are the key properties of 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide?
1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)-6-methoxy-4-oxopyridazine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53338029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).