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

C15H17N3O2 — CID 51868310

IUPAC(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)n2ncccc2=O)c1C
InChIInChI=1S/C15H17N3O2/c1-10-6-4-7-13(11(10)2)17-15(20)12(3)18-14(19)8-5-9-16-18/h4-9,12H,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyDILMAWOFSAJXKU-LBPRGKRZSA-N
MW271.32 g/mol
LogP2.06
Rot. Bonds3

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

(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide (PubChem CID 51868310) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
PubChem CID51868310
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)n2ncccc2=O)c1C
InChIInChI=1S/C15H17N3O2/c1-10-6-4-7-13(11(10)2)17-15(20)12(3)18-14(19)8-5-9-16-18/h4-9,12H,1-3H3,(H,17,20)/t12-/m0/s1
InChIKeyDILMAWOFSAJXKU-LBPRGKRZSA-N
XLogP2.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868316
N-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151
N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079728
(2R)-N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868313
N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 45497099
N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079706
N-(2,3-dimethylphenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19534180
N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079717
2-[3-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl]triazol-4-yl]acetic acid
CID 82194813
(2S)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 92902750
N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079674
N-(2-cyano-4-nitrophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079737

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide (CID 51868310) is (2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide is Cc1cccc(NC(=O)[C@H](C)n2ncccc2=O)c1C.
What is the InChIKey of (2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is DILMAWOFSAJXKU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-6-4-7-13(11(10)2)17-15(20)12(3)18-14(19)8-5-9-16-18/h4-9,12H,1-3H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 51868310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).