N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide

C17H25N3O2S — CID 75508852

IUPACN-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)CN1N=C(C(=O)N(C)C(C)Cc2ccsc2)CCC1=O
InChIInChI=1S/C17H25N3O2S/c1-12(2)10-20-16(21)6-5-15(18-20)17(22)19(4)13(3)9-14-7-8-23-11-14/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKeyFFNMMUNKRVHDDQ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.77
Rot. Bonds6

About N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide

N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 75508852) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID75508852
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide
SMILESCC(C)CN1N=C(C(=O)N(C)C(C)Cc2ccsc2)CCC1=O
InChIInChI=1S/C17H25N3O2S/c1-12(2)10-20-16(21)6-5-15(18-20)17(22)19(4)13(3)9-14-7-8-23-11-14/h7-8,11-13H,5-6,9-10H2,1-4H3
InChIKeyFFNMMUNKRVHDDQ-UHFFFAOYSA-N
XLogP2.77
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide (CID 75508852) is N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide is CC(C)CN1N=C(C(=O)N(C)C(C)Cc2ccsc2)CCC1=O.
What is the InChIKey of N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FFNMMUNKRVHDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12(2)10-20-16(21)6-5-15(18-20)17(22)19(4)13(3)9-14-7-8-23-11-14/h7-8,11-13H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide?
N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropyl)-6-oxo-N-(1-thiophen-3-ylpropan-2-yl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 75508852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).