[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate

C17H15FN2O3 — CID 87463729

IUPAC[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)ONC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C17H15FN2O3/c1-17(7-8-17)16(22)23-20-15(21)12-5-6-14(19-10-12)11-3-2-4-13(18)9-11/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyDXIBXHUZJWZTNX-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.88
Rot. Bonds3

About [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate

[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate (PubChem CID 87463729) has the molecular formula C17H15FN2O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate
PubChem CID87463729
Molecular FormulaC17H15FN2O3
Molecular Weight314.32 g/mol
Exact Mass314.11
IUPAC Name[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate
SMILESCC1(C(=O)ONC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1
InChIInChI=1S/C17H15FN2O3/c1-17(7-8-17)16(22)23-20-15(21)12-5-6-14(19-10-12)11-3-2-4-13(18)9-11/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyDXIBXHUZJWZTNX-UHFFFAOYSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate?
The IUPAC name of [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate (CID 87463729) is [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate?
The canonical SMILES for [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate is CC1(C(=O)ONC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1.
What is the InChIKey of [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate?
The InChIKey is DXIBXHUZJWZTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3/c1-17(7-8-17)16(22)23-20-15(21)12-5-6-14(19-10-12)11-3-2-4-13(18)9-11/h2-6,9-10H,7-8H2,1H3,(H,20,21).
What are the key properties of [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate?
[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate has a molecular weight of 314.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-(3-fluorophenyl)pyridine-3-carbonyl]amino] 1-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 87463729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).