1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide

C14H20FN3O2 — CID 105055820

IUPAC1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ccc(F)nc2)C1(C)C
InChIInChI=1S/C14H20FN3O2/c1-4-20-10-7-14(16,13(10,2)3)12(19)18-9-5-6-11(15)17-8-9/h5-6,8,10H,4,7,16H2,1-3H3,(H,18,19)
InChIKeyRZPZKZLVKRCJHX-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.69
Rot. Bonds4

About 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide

1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide (PubChem CID 105055820) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide
PubChem CID105055820
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide
SMILESCCOC1CC(N)(C(=O)Nc2ccc(F)nc2)C1(C)C
InChIInChI=1S/C14H20FN3O2/c1-4-20-10-7-14(16,13(10,2)3)12(19)18-9-5-6-11(15)17-8-9/h5-6,8,10H,4,7,16H2,1-3H3,(H,18,19)
InChIKeyRZPZKZLVKRCJHX-UHFFFAOYSA-N
XLogP1.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-ethoxy-N-(4-methoxyphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827748
1-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827966
1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827880
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 114827931
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-N-(5-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827953
1-amino-N-(4-chloro-2-methylphenyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827956
1-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829916
1-amino-N-(6-fluoro-3-pyridinyl)cyclopentane-1-carboxamide
CID 103794921
1-amino-3-ethoxy-2,2-dimethyl-N-[(1R)-1-phenylethyl]cyclobutane-1-carboxamide
CID 104979683
1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 114828502

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide (CID 105055820) is 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide is CCOC1CC(N)(C(=O)Nc2ccc(F)nc2)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide?
The InChIKey is RZPZKZLVKRCJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-4-20-10-7-14(16,13(10,2)3)12(19)18-9-5-6-11(15)17-8-9/h5-6,8,10H,4,7,16H2,1-3H3,(H,18,19).
What are the key properties of 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide?
1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-N-(6-fluoro-3-pyridinyl)-2,2-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 105055820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).