N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide

C14H22N4O — CID 113038820

IUPACN-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC2CCCC2)nn1
InChIInChI=1S/C14H22N4O/c1-10(2)9-14(19)16-13-8-7-12(17-18-13)15-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyWPKKBZVHGVWTIG-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.82
Rot. Bonds5

About N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide

N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide (PubChem CID 113038820) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide
PubChem CID113038820
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC2CCCC2)nn1
InChIInChI=1S/C14H22N4O/c1-10(2)9-14(19)16-13-8-7-12(17-18-13)15-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyWPKKBZVHGVWTIG-UHFFFAOYSA-N
XLogP2.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113038888
1-[6-(cyclohexylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113039134
N-[6-(cycloheptylamino)pyridazin-3-yl]-2-ethylbutanamide
CID 113044367
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113038853
6-(cyclohexylamino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109112877
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
N-[6-(cyclopentylamino)pyridazin-3-yl]-2,2-diphenylacetamide
CID 113038844
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-phenylurea
CID 113038878
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113038874
N-butan-2-yl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109111540
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54816270

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide?
The IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide (CID 113038820) is N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide?
The canonical SMILES for N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC2CCCC2)nn1.
What is the InChIKey of N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide?
The InChIKey is WPKKBZVHGVWTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)9-14(19)16-13-8-7-12(17-18-13)15-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,15,17)(H,16,18,19).
What are the key properties of N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide?
N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide has a molecular weight of 262.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 113038820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).