(2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide

C18H20N4O2 — CID 162628535

IUPAC(2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide
SMILESCc1cnnc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)c1C
InChIInChI=1S/C18H20N4O2/c1-11-10-20-21-16(12(11)2)13-5-7-14(8-6-13)18(24)22-9-3-4-15(22)17(19)23/h5-8,10,15H,3-4,9H2,1-2H3,(H2,19,23)/t15-/m0/s1
InChIKeySCZSSXATZUSOHR-HNNXBMFYSA-N
MW324.38 g/mol
LogP1.85
Rot. Bonds3

About (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide

(2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 162628535) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID162628535
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide
SMILESCc1cnnc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)c1C
InChIInChI=1S/C18H20N4O2/c1-11-10-20-21-16(12(11)2)13-5-7-14(8-6-13)18(24)22-9-3-4-15(22)17(19)23/h5-8,10,15H,3-4,9H2,1-2H3,(H2,19,23)/t15-/m0/s1
InChIKeySCZSSXATZUSOHR-HNNXBMFYSA-N
XLogP1.85
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 142087798
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
1-(3-bromo-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 79458993
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96510202
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
(2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide
CID 121495794
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640
(2S)-1-[4-[(1R)-1-phenylethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 99834604

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide (CID 162628535) is (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide is Cc1cnnc(-c2ccc(C(=O)N3CCC[C@H]3C(N)=O)cc2)c1C.
What is the InChIKey of (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is SCZSSXATZUSOHR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-10-20-21-16(12(11)2)13-5-7-14(8-6-13)18(24)22-9-3-4-15(22)17(19)23/h5-8,10,15H,3-4,9H2,1-2H3,(H2,19,23)/t15-/m0/s1.
What are the key properties of (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide?
(2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162628535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).