methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate

C14H21N3O2 — CID 116972034

IUPACmethyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ccc(C2CCCC2)nn1
InChIInChI=1S/C14H21N3O2/c1-14(2,13(18)19-3)15-12-9-8-11(16-17-12)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,15,17)
InChIKeyRXIFSBSSQDWTFV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.50
Rot. Bonds4

About methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate

methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate (PubChem CID 116972034) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
PubChem CID116972034
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ccc(C2CCCC2)nn1
InChIInChI=1S/C14H21N3O2/c1-14(2,13(18)19-3)15-12-9-8-11(16-17-12)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,15,17)
InChIKeyRXIFSBSSQDWTFV-UHFFFAOYSA-N
XLogP2.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate
CID 116975801
2-[(6-cyclohexylpyridazin-3-yl)amino]acetonitrile
CID 116971897
2-[(6-cyclohexylpyridazin-3-yl)amino]propanoic acid
CID 116971462
N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide
CID 129135995
N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine
CID 116970742
methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate
CID 116901356
1-N-(6-cyclobutylpyridazin-3-yl)-3-methylbutane-1,3-diamine
CID 116970916
N-[6-[3-[6-(propanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
CID 123960085
1-N-(6-cyclopentylpyridazin-3-yl)butane-1,3-diamine
CID 116970844
2-methyl-N-[6-[(1R,3R)-3-[6-(2-methylpropanoylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]propanamide
CID 129136068
2-(3-methoxyphenyl)-N-[6-[3-[6-[[2-(3-methoxyphenyl)acetyl]amino]pyridazin-3-yl]cycloheptyl]pyridazin-3-yl]acetamide
CID 129135395
N-(azetidin-3-yl)-6-cyclopentylpyridazin-3-amine
CID 116970968

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate (CID 116972034) is methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate is COC(=O)C(C)(C)Nc1ccc(C2CCCC2)nn1.
What is the InChIKey of methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate?
The InChIKey is RXIFSBSSQDWTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,13(18)19-3)15-12-9-8-11(16-17-12)10-6-4-5-7-10/h8-10H,4-7H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate?
methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-cyclopentylpyridazin-3-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 116972034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).