(2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide

C19H21F2N3O3 — CID 51494130

IUPAC(2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide
SMILESCC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C19H21F2N3O3/c1-2-13(22-19(26)17-4-3-9-27-17)11-24-18(25)8-7-16(23-24)12-5-6-14(20)15(21)10-12/h5-8,10,13,17H,2-4,9,11H2,1H3,(H,22,26)/t13-,17+/m1/s1
InChIKeyWKUQSOVARFWLAD-DYVFJYSZSA-N
MW377.39 g/mol
LogP2.26
Rot. Bonds6

About (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide

(2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide (PubChem CID 51494130) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide
PubChem CID51494130
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name(2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide
SMILESCC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C19H21F2N3O3/c1-2-13(22-19(26)17-4-3-9-27-17)11-24-18(25)8-7-16(23-24)12-5-6-14(20)15(21)10-12/h5-8,10,13,17H,2-4,9,11H2,1H3,(H,22,26)/t13-,17+/m1/s1
InChIKeyWKUQSOVARFWLAD-DYVFJYSZSA-N
XLogP2.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide (CID 51494130) is (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide is CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide?
The InChIKey is WKUQSOVARFWLAD-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-2-13(22-19(26)17-4-3-9-27-17)11-24-18(25)8-7-16(23-24)12-5-6-14(20)15(21)10-12/h5-8,10,13,17H,2-4,9,11H2,1H3,(H,22,26)/t13-,17+/m1/s1.
What are the key properties of (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide?
(2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 51494130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).