N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide

C17H28N4O — CID 113044367

IUPACN-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C17H28N4O/c1-3-13(4-2)17(22)19-16-12-11-15(20-21-16)18-14-9-7-5-6-8-10-14/h11-14H,3-10H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyITWTWFDNBTUDPB-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.99
Rot. Bonds6

About N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide

N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide (PubChem CID 113044367) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide
PubChem CID113044367
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(NC2CCCCCC2)nn1
InChIInChI=1S/C17H28N4O/c1-3-13(4-2)17(22)19-16-12-11-15(20-21-16)18-14-9-7-5-6-8-10-14/h11-14H,3-10H2,1-2H3,(H,18,20)(H,19,21,22)
InChIKeyITWTWFDNBTUDPB-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038820
1-[6-(cyclohexylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113039134
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113038888
N-[6-(cyclopentylamino)pyridazin-3-yl]-2,2-diphenylacetamide
CID 113038844
N-butan-2-yl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109111540
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
6-(cyclopentylamino)-N,N-diethylpyridazine-3-carboxamide
CID 109112142
N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
CID 109112879
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853
6-(cyclohexylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109112883

Frequently Asked Questions

What is the IUPAC name of N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide?
The IUPAC name of N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide (CID 113044367) is N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide?
The canonical SMILES for N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(NC2CCCCCC2)nn1.
What is the InChIKey of N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide?
The InChIKey is ITWTWFDNBTUDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-13(4-2)17(22)19-16-12-11-15(20-21-16)18-14-9-7-5-6-8-10-14/h11-14H,3-10H2,1-2H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide?
N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide has a molecular weight of 304.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide is sourced from PubChem (CID 113044367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).