N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H16ClN3O3 — CID 99829500

IUPACN-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC1CCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H16ClN3O3/c17-11-4-6-14(23-9-10-2-1-3-10)13(8-11)18-16(22)12-5-7-15(21)20-19-12/h4-8,10H,1-3,9H2,(H,18,22)(H,20,21)
InChIKeyFGVBNZMDKOWVNT-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.85
Rot. Bonds5

About N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 99829500) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID99829500
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OCC1CCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H16ClN3O3/c17-11-4-6-14(23-9-10-2-1-3-10)13(8-11)18-16(22)12-5-7-15(21)20-19-12/h4-8,10H,1-3,9H2,(H,18,22)(H,20,21)
InChIKeyFGVBNZMDKOWVNT-UHFFFAOYSA-N
XLogP2.85
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(cyclobutylmethoxy)phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 166209363
N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-5-(methylsulfamoyl)furan-3-carboxamide
CID 126778857
1-[[5-chloro-2-(cyclobutylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122091053
N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 122151177
N-(5-chloro-2-ethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47267865
N-(5-chloro-2-ethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55982116
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 167992049
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31692872
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233
6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
CID 102561239
3-amino-N-[5-chloro-2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 99823794

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 99829500) is N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FGVBNZMDKOWVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c17-11-4-6-14(23-9-10-2-1-3-10)13(8-11)18-16(22)12-5-7-15(21)20-19-12/h4-8,10H,1-3,9H2,(H,18,22)(H,20,21).
What are the key properties of N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 333.78 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 99829500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).