3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

C19H25N3O3 — CID 15993422

IUPAC3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(C2=NN(CCC(=O)NCC3CCCO3)C(=O)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-4-6-15(7-5-14)17-8-9-19(24)22(21-17)11-10-18(23)20-13-16-3-2-12-25-16/h4-7,16H,2-3,8-13H2,1H3,(H,20,23)
InChIKeyVRGHOPUQAPCBMN-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.01
Rot. Bonds6

About 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 15993422) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID15993422
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(C2=NN(CCC(=O)NCC3CCCO3)C(=O)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-4-6-15(7-5-14)17-8-9-19(24)22(21-17)11-10-18(23)20-13-16-3-2-12-25-16/h4-7,16H,2-3,8-13H2,1H3,(H,20,23)
InChIKeyVRGHOPUQAPCBMN-UHFFFAOYSA-N
XLogP2.01
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide 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

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943682
3-[(4-methylphenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3237021
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619
2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41459678
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
4-(2,5-dimethylphenyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 94102322
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(2-phenylethyl)propanamide
CID 6624469
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 30479133
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 113118732

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 15993422) is 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc(C2=NN(CCC(=O)NCC3CCCO3)C(=O)CC2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is VRGHOPUQAPCBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-4-6-15(7-5-14)17-8-9-19(24)22(21-17)11-10-18(23)20-13-16-3-2-12-25-16/h4-7,16H,2-3,8-13H2,1H3,(H,20,23).
What are the key properties of 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 15993422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).