N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide

C18H22N4O2 — CID 113038853

IUPACN-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC3CCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-8-6-13(7-9-15)12-18(23)20-17-11-10-16(21-22-17)19-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyJTMHNBVFEVRURS-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.02
Rot. Bonds6

About N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide

N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113038853) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID113038853
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC3CCCC3)nn2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-8-6-13(7-9-15)12-18(23)20-17-11-10-16(21-22-17)19-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyJTMHNBVFEVRURS-UHFFFAOYSA-N
XLogP3.02
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112985000
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109112117
2-(4-chlorophenyl)-N-[6-(cyclopropylamino)pyridazin-3-yl]acetamide
CID 113038076
N-[4-(cyclopropylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112979974
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038820
2-(4-methoxyphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045038
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113038874
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
6-(cycloheptylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124661
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941956
N-[6-(cycloheptylamino)pyridazin-3-yl]-2,6-dimethoxybenzamide
CID 113044384

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide (CID 113038853) is N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(NC3CCCC3)nn2)cc1.
What is the InChIKey of N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is JTMHNBVFEVRURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-15-8-6-13(7-9-15)12-18(23)20-17-11-10-16(21-22-17)19-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113038853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).