(1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate

C15H14N4O4 — CID 91179194

IUPAC(1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate
SMILESNC(=O)C1(OC(=O)c2cc(-c3ccncc3)n[nH]c2=O)CCC1
InChIInChI=1S/C15H14N4O4/c16-14(22)15(4-1-5-15)23-13(21)10-8-11(18-19-12(10)20)9-2-6-17-7-3-9/h2-3,6-8H,1,4-5H2,(H2,16,22)(H,19,20)
InChIKeyBSUHPBIVNZCABW-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.40
Rot. Bonds4

About (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate

(1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate (PubChem CID 91179194) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate.

Molecular Properties

Compound Name(1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate
PubChem CID91179194
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name(1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate
SMILESNC(=O)C1(OC(=O)c2cc(-c3ccncc3)n[nH]c2=O)CCC1
InChIInChI=1S/C15H14N4O4/c16-14(22)15(4-1-5-15)23-13(21)10-8-11(18-19-12(10)20)9-2-6-17-7-3-9/h2-3,6-8H,1,4-5H2,(H2,16,22)(H,19,20)
InChIKeyBSUHPBIVNZCABW-UHFFFAOYSA-N
XLogP0.40
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate 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

(1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate
CID 91474839
5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride
CID 20527782
N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59853619
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59017950
5-acetyl-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445462
3-(4-cyanophenyl)-6-oxo-1H-pyridazine-5-carboxamide
CID 131863810
6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide
CID 59017983
N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349
1-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]cyclobutane-1-carboxamide
CID 162773616
5-acetyl-3-(4-fluorophenyl)-1H-pyridazin-6-one
CID 82445707

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate?
The IUPAC name of (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate (CID 91179194) is (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate.
What is the SMILES notation for (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate?
The canonical SMILES for (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate is NC(=O)C1(OC(=O)c2cc(-c3ccncc3)n[nH]c2=O)CCC1.
What is the InChIKey of (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate?
The InChIKey is BSUHPBIVNZCABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c16-14(22)15(4-1-5-15)23-13(21)10-8-11(18-19-12(10)20)9-2-6-17-7-3-9/h2-3,6-8H,1,4-5H2,(H2,16,22)(H,19,20).
What are the key properties of (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate?
(1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclobutyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate is sourced from PubChem (CID 91179194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).