N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide

C17H17FN2O2 — CID 54587760

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1
InChIInChI=1S/C17H17FN2O2/c1-22-16-7-14(18)4-5-15(16)13-6-11(8-19-10-13)9-20-17(21)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,20,21)
InChIKeyHWSSZEHYQJYQQM-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.92
Rot. Bonds5

About N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide (PubChem CID 54587760) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide
PubChem CID54587760
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1
InChIInChI=1S/C17H17FN2O2/c1-22-16-7-14(18)4-5-15(16)13-6-11(8-19-10-13)9-20-17(21)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,20,21)
InChIKeyHWSSZEHYQJYQQM-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide (CID 54587760) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide is COc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide?
The InChIKey is HWSSZEHYQJYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-22-16-7-14(18)4-5-15(16)13-6-11(8-19-10-13)9-20-17(21)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,20,21).
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide has a molecular weight of 300.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 54587760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).