methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate

C15H21N3O4 — CID 86921740

IUPACmethyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCCCn1nc(C(=O)NC2(C(=O)OC)CCCC2)ccc1=O
InChIInChI=1S/C15H21N3O4/c1-3-10-18-12(19)7-6-11(17-18)13(20)16-15(14(21)22-2)8-4-5-9-15/h6-7H,3-5,8-10H2,1-2H3,(H,16,20)
InChIKeyMQZBPJNCURPSAC-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.87
Rot. Bonds5

About methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate

methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate (PubChem CID 86921740) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate
PubChem CID86921740
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namemethyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCCCn1nc(C(=O)NC2(C(=O)OC)CCCC2)ccc1=O
InChIInChI=1S/C15H21N3O4/c1-3-10-18-12(19)7-6-11(17-18)13(20)16-15(14(21)22-2)8-4-5-9-15/h6-7H,3-5,8-10H2,1-2H3,(H,16,20)
InChIKeyMQZBPJNCURPSAC-UHFFFAOYSA-N
XLogP0.87
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate 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 methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate (CID 86921740) is methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate is CCCn1nc(C(=O)NC2(C(=O)OC)CCCC2)ccc1=O.
What is the InChIKey of methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate?
The InChIKey is MQZBPJNCURPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-10-18-12(19)7-6-11(17-18)13(20)16-15(14(21)22-2)8-4-5-9-15/h6-7H,3-5,8-10H2,1-2H3,(H,16,20).
What are the key properties of methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate?
methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 86921740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).