N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide

C14H20F2N4O2 — CID 120954959

IUPACN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)C2CC(F)(F)CN2)c1CC
InChIInChI=1S/C14H20F2N4O2/c1-3-8-9(12(21)20-19-10(8)4-2)6-17-13(22)11-5-14(15,16)7-18-11/h11,18H,3-7H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyFCOOCTRYALWUFC-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.51
Rot. Bonds5

About N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide

N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide (PubChem CID 120954959) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide
PubChem CID120954959
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC NameN-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)C2CC(F)(F)CN2)c1CC
InChIInChI=1S/C14H20F2N4O2/c1-3-8-9(12(21)20-19-10(8)4-2)6-17-13(22)11-5-14(15,16)7-18-11/h11,18H,3-7H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyFCOOCTRYALWUFC-UHFFFAOYSA-N
XLogP0.51
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide?
The IUPAC name of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide (CID 120954959) is N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide is CCc1n[nH]c(=O)c(CNC(=O)C2CC(F)(F)CN2)c1CC.
What is the InChIKey of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide?
The InChIKey is FCOOCTRYALWUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-3-8-9(12(21)20-19-10(8)4-2)6-17-13(22)11-5-14(15,16)7-18-11/h11,18H,3-7H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide?
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120954959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).