(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide

C14H14ClN3O2 — CID 51868316

IUPAC(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)n1ncccc1=O
InChIInChI=1S/C14H14ClN3O2/c1-9-11(15)5-3-6-12(9)17-14(20)10(2)18-13(19)7-4-8-16-18/h3-8,10H,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyNSVXZJLXRSJZLB-JTQLQIEISA-N
MW291.74 g/mol
LogP2.40
Rot. Bonds3

About (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide

(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide (PubChem CID 51868316) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
PubChem CID51868316
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@H](C)n1ncccc1=O
InChIInChI=1S/C14H14ClN3O2/c1-9-11(15)5-3-6-12(9)17-14(20)10(2)18-13(19)7-4-8-16-18/h3-8,10H,1-2H3,(H,17,20)/t10-/m0/s1
InChIKeyNSVXZJLXRSJZLB-JTQLQIEISA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079717
N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744781
(2R)-N-(3-chloro-2-methylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)propanamide
CID 92902673
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
(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-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19528429
N-(2-cyano-4-nitrophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079737

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide (CID 51868316) is (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide is Cc1c(Cl)cccc1NC(=O)[C@H](C)n1ncccc1=O.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is NSVXZJLXRSJZLB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-11(15)5-3-6-12(9)17-14(20)10(2)18-13(19)7-4-8-16-18/h3-8,10H,1-2H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide?
(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 291.74 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 51868316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).