2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide

C16H21N3O2S — CID 95632509

IUPAC2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide
SMILESCc1ccc(C[C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)s1
InChIInChI=1S/C16H21N3O2S/c1-9(8-13-7-6-10(2)22-13)17-15(20)14-11(3)12(4)18-19(5)16(14)21/h6-7,9H,8H2,1-5H3,(H,17,20)/t9-/m1/s1
InChIKeyZKZBZIZBOCZSOU-SECBINFHSA-N
MW319.43 g/mol
LogP2.13
Rot. Bonds4

About 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide

2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide (PubChem CID 95632509) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide
PubChem CID95632509
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide
SMILESCc1ccc(C[C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)s1
InChIInChI=1S/C16H21N3O2S/c1-9(8-13-7-6-10(2)22-13)17-15(20)14-11(3)12(4)18-19(5)16(14)21/h6-7,9H,8H2,1-5H3,(H,17,20)/t9-/m1/s1
InChIKeyZKZBZIZBOCZSOU-SECBINFHSA-N
XLogP2.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-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 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide (CID 95632509) is 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide is Cc1ccc(C[C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)s1.
What is the InChIKey of 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide?
The InChIKey is ZKZBZIZBOCZSOU-SECBINFHSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-9(8-13-7-6-10(2)22-13)17-15(20)14-11(3)12(4)18-19(5)16(14)21/h6-7,9H,8H2,1-5H3,(H,17,20)/t9-/m1/s1.
What are the key properties of 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide?
2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 95632509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).