1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide

C20H33N3O2 — CID 134029553

IUPAC1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2CCC(C(C)(C)CC)CC2)ccc1=O
InChIInChI=1S/C20H33N3O2/c1-5-7-14-23-18(24)13-12-17(22-23)19(25)21-16-10-8-15(9-11-16)20(3,4)6-2/h12-13,15-16H,5-11,14H2,1-4H3,(H,21,25)
InChIKeyWDGUXEIBUFZBEQ-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.77
Rot. Bonds7

About 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide (PubChem CID 134029553) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide
PubChem CID134029553
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2CCC(C(C)(C)CC)CC2)ccc1=O
InChIInChI=1S/C20H33N3O2/c1-5-7-14-23-18(24)13-12-17(22-23)19(25)21-16-10-8-15(9-11-16)20(3,4)6-2/h12-13,15-16H,5-11,14H2,1-4H3,(H,21,25)
InChIKeyWDGUXEIBUFZBEQ-UHFFFAOYSA-N
XLogP3.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-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 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide (CID 134029553) is 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC2CCC(C(C)(C)CC)CC2)ccc1=O.
What is the InChIKey of 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is WDGUXEIBUFZBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-5-7-14-23-18(24)13-12-17(22-23)19(25)21-16-10-8-15(9-11-16)20(3,4)6-2/h12-13,15-16H,5-11,14H2,1-4H3,(H,21,25).
What are the key properties of 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 134029553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).