2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide

C20H17ClF2N4O2 — CID 157288307

IUPAC2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(C)(F)F)cn1)n1nc(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C20H17ClF2N4O2/c1-12(19(29)25-17-8-6-14(11-24-17)20(2,22)23)27-18(28)9-7-16(26-27)13-4-3-5-15(21)10-13/h3-12H,1-2H3,(H,24,25,29)
InChIKeyLGFSEQFKXXAUSG-UHFFFAOYSA-N
MW418.83 g/mol
LogP4.27
Rot. Bonds5

About 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide

2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide (PubChem CID 157288307) has the molecular formula C20H17ClF2N4O2 and a molecular weight of 418.83 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide
PubChem CID157288307
Molecular FormulaC20H17ClF2N4O2
Molecular Weight418.83 g/mol
Exact Mass418.10
IUPAC Name2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide
SMILESCC(C(=O)Nc1ccc(C(C)(F)F)cn1)n1nc(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C20H17ClF2N4O2/c1-12(19(29)25-17-8-6-14(11-24-17)20(2,22)23)27-18(28)9-7-16(26-27)13-4-3-5-15(21)10-13/h3-12H,1-2H3,(H,24,25,29)
InChIKeyLGFSEQFKXXAUSG-UHFFFAOYSA-N
XLogP4.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.83
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide (CID 157288307) is 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide is CC(C(=O)Nc1ccc(C(C)(F)F)cn1)n1nc(-c2cccc(Cl)c2)ccc1=O.
What is the InChIKey of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide?
The InChIKey is LGFSEQFKXXAUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O2/c1-12(19(29)25-17-8-6-14(11-24-17)20(2,22)23)27-18(28)9-7-16(26-27)13-4-3-5-15(21)10-13/h3-12H,1-2H3,(H,24,25,29).
What are the key properties of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide?
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide has a molecular weight of 418.83 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-[5-(1,1-difluoroethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 157288307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).