N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide

C16H26N4O — CID 109112879

IUPACN-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NC2CCCCC2)nn1
InChIInChI=1S/C16H26N4O/c1-3-4-12-20(2)16(21)14-10-11-15(19-18-14)17-13-8-6-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,17,19)
InChIKeyGCLJUWGRMHJPET-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.09
Rot. Bonds6

About N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide

N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 109112879) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
PubChem CID109112879
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NC2CCCCC2)nn1
InChIInChI=1S/C16H26N4O/c1-3-4-12-20(2)16(21)14-10-11-15(19-18-14)17-13-8-6-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,17,19)
InChIKeyGCLJUWGRMHJPET-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109112883
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
CID 109195352
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
6-(cyclopentylamino)-N,N-diethylpyridazine-3-carboxamide
CID 109112142
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
N-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]-N-methylbenzamide
CID 53098979
N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
CID 109125752
N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
N-butan-2-yl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109111540
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide (CID 109112879) is N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide is CCCCN(C)C(=O)c1ccc(NC2CCCCC2)nn1.
What is the InChIKey of N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide?
The InChIKey is GCLJUWGRMHJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-4-12-20(2)16(21)14-10-11-15(19-18-14)17-13-8-6-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide?
N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109112879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).