6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide

C26H37ClN8O2 — CID 157465812

IUPAC6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCC1CCC1)c1ccc(Cl)nn1.O=C(NCCC1CCC1)c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C15H23N5O.C11H14ClN3O/c21-15(17-7-6-12-2-1-3-12)13-4-5-14(19-18-13)20-10-8-16-9-11-20;12-10-5-4-9(14-15-10)11(16)13-7-6-8-2-1-3-8/h4-5,12,16H,1-3,6-11H2,(H,17,21);4-5,8H,1-3,6-7H2,(H,13,16)
InChIKeyBULRGDFQPDLSSD-UHFFFAOYSA-N
MW529.09 g/mol
LogP2.86
Rot. Bonds9

About 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide

6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide (PubChem CID 157465812) has the molecular formula C26H37ClN8O2 and a molecular weight of 529.09 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide
PubChem CID157465812
Molecular FormulaC26H37ClN8O2
Molecular Weight529.09 g/mol
Exact Mass528.27
IUPAC Name6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCCC1CCC1)c1ccc(Cl)nn1.O=C(NCCC1CCC1)c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C15H23N5O.C11H14ClN3O/c21-15(17-7-6-12-2-1-3-12)13-4-5-14(19-18-13)20-10-8-16-9-11-20;12-10-5-4-9(14-15-10)11(16)13-7-6-8-2-1-3-8/h4-5,12,16H,1-3,6-11H2,(H,17,21);4-5,8H,1-3,6-7H2,(H,13,16)
InChIKeyBULRGDFQPDLSSD-UHFFFAOYSA-N
XLogP2.86
TPSA125.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.09
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide
CID 86026045
6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
CID 54932474
N-(2-cyclopropylethyl)-6-[4-(3-methylcyclohexanecarbonyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 11304116
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
N-(2-cyclobutylethyl)-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11294562
6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(2-cyclopropylethyl)pyridazine-3-carboxamide
CID 11950710
(E)-but-2-enedioic acid;3-chloro-6-piperazin-1-ylpyridazine
CID 158963891
N-(2-cyclopropylethyl)-6-[4-[3-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11178786
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propanoic acid
CID 55049699
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide (CID 157465812) is 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide is O=C(NCCC1CCC1)c1ccc(Cl)nn1.O=C(NCCC1CCC1)c1ccc(N2CCNCC2)nn1.
What is the InChIKey of 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide?
The InChIKey is BULRGDFQPDLSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.C11H14ClN3O/c21-15(17-7-6-12-2-1-3-12)13-4-5-14(19-18-13)20-10-8-16-9-11-20;12-10-5-4-9(14-15-10)11(16)13-7-6-8-2-1-3-8/h4-5,12,16H,1-3,6-11H2,(H,17,21);4-5,8H,1-3,6-7H2,(H,13,16).
What are the key properties of 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide?
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide has a molecular weight of 529.09 g/mol, XLogP of 2.86, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 157465812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).