methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate

C18H14FN3O4 — CID 66882118

IUPACmethyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C#N)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C18H14FN3O4/c1-26-17(25)18(10-20)9-12(18)16(24)21-14-6-5-11(8-13(14)19)22-7-3-2-4-15(22)23/h2-8,12H,9H2,1H3,(H,21,24)
InChIKeyAPFBWQNHWBXDIN-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.62
Rot. Bonds4

About methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate

methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 66882118) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
PubChem CID66882118
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Namemethyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C#N)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C18H14FN3O4/c1-26-17(25)18(10-20)9-12(18)16(24)21-14-6-5-11(8-13(14)19)22-7-3-2-4-15(22)23/h2-8,12H,9H2,1H3,(H,21,24)
InChIKeyAPFBWQNHWBXDIN-UHFFFAOYSA-N
XLogP1.62
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate (CID 66882118) is methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate is COC(=O)C1(C#N)CC1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is APFBWQNHWBXDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c1-26-17(25)18(10-20)9-12(18)16(24)21-14-6-5-11(8-13(14)19)22-7-3-2-4-15(22)23/h2-8,12H,9H2,1H3,(H,21,24).
What are the key properties of methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 355.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyano-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 66882118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).