N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C19H19F2N5O3 — CID 16671445

IUPACN-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1nonc1C
InChIInChI=1S/C19H19F2N5O3/c1-3-13(22-18(27)9-17-11(2)24-29-25-17)10-26-19(28)7-6-16(23-26)12-4-5-14(20)15(21)8-12/h4-8,13H,3,9-10H2,1-2H3,(H,22,27)/t13-/m1/s1
InChIKeyAPEIZMKJMIOONT-CYBMUJFWSA-N
MW403.39 g/mol
LogP2.02
Rot. Bonds7

About N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 16671445) has the molecular formula C19H19F2N5O3 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID16671445
Molecular FormulaC19H19F2N5O3
Molecular Weight403.39 g/mol
Exact Mass403.15
IUPAC NameN-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1nonc1C
InChIInChI=1S/C19H19F2N5O3/c1-3-13(22-18(27)9-17-11(2)24-29-25-17)10-26-19(28)7-6-16(23-26)12-4-5-14(20)15(21)8-12/h4-8,13H,3,9-10H2,1-2H3,(H,22,27)/t13-/m1/s1
InChIKeyAPEIZMKJMIOONT-CYBMUJFWSA-N
XLogP2.02
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]-3-methylbutan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16671456
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3S)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetamide
CID 26398459
4-fluoro-N-({1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-piperidinyl}methyl)benzamide
CID 45226099
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]-3-methylbutan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 46981748
2-fluoro-N-(3-{methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-3-oxopropyl)benzamide
CID 46998929
N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92430787
3-(2-fluorobenzyl)-1-methyl-6-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 45929793
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 91834572
N-[(1S)-1-(4-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 95857380
N-[(1R)-1-(4-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 95857381
1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-2-carboxamide
CID 110085871
N-[1-(4-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 110225958

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 16671445) is N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is CC[C@H](Cn1nc(-c2ccc(F)c(F)c2)ccc1=O)NC(=O)Cc1nonc1C.
What is the InChIKey of N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is APEIZMKJMIOONT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F2N5O3/c1-3-13(22-18(27)9-17-11(2)24-29-25-17)10-26-19(28)7-6-16(23-26)12-4-5-14(20)15(21)8-12/h4-8,13H,3,9-10H2,1-2H3,(H,22,27)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 403.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 16671445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).