(2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide

C14H13F2N3O2 — CID 95118846

IUPAC(2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n([C@@H](C)C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C14H13F2N3O2/c1-8-6-7-12(20)19(18-8)9(2)14(21)17-13-10(15)4-3-5-11(13)16/h3-7,9H,1-2H3,(H,17,21)/t9-/m0/s1
InChIKeyDXGRCHJXDJPZCW-VIFPVBQESA-N
MW293.27 g/mol
LogP2.03
Rot. Bonds3

About (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide

(2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 95118846) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide
PubChem CID95118846
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name(2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n([C@@H](C)C(=O)Nc2c(F)cccc2F)n1
InChIInChI=1S/C14H13F2N3O2/c1-8-6-7-12(20)19(18-8)9(2)14(21)17-13-10(15)4-3-5-11(13)16/h3-7,9H,1-2H3,(H,17,21)/t9-/m0/s1
InChIKeyDXGRCHJXDJPZCW-VIFPVBQESA-N
XLogP2.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide (CID 95118846) is (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide is Cc1ccc(=O)n([C@@H](C)C(=O)Nc2c(F)cccc2F)n1.
What is the InChIKey of (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is DXGRCHJXDJPZCW-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-8-6-7-12(20)19(18-8)9(2)14(21)17-13-10(15)4-3-5-11(13)16/h3-7,9H,1-2H3,(H,17,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide?
(2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 293.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-difluorophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 95118846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).