N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide

C20H21FN2O2 — CID 75370889

IUPACN-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(c1ccc(F)cn1)C1CCOCC1
InChIInChI=1S/C20H21FN2O2/c21-15-6-7-19(22-13-15)23(16-8-10-25-11-9-16)20(24)18-12-17(18)14-4-2-1-3-5-14/h1-7,13,16-18H,8-12H2
InChIKeyXCSZRBKATLJEKE-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.54
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide

N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 75370889) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID75370889
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1)N(c1ccc(F)cn1)C1CCOCC1
InChIInChI=1S/C20H21FN2O2/c21-15-6-7-19(22-13-15)23(16-8-10-25-11-9-16)20(24)18-12-17(18)14-4-2-1-3-5-14/h1-7,13,16-18H,8-12H2
InChIKeyXCSZRBKATLJEKE-UHFFFAOYSA-N
XLogP3.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide (CID 75370889) is N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide is O=C(C1CC1c1ccccc1)N(c1ccc(F)cn1)C1CCOCC1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XCSZRBKATLJEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-15-6-7-19(22-13-15)23(16-8-10-25-11-9-16)20(24)18-12-17(18)14-4-2-1-3-5-14/h1-7,13,16-18H,8-12H2.
What are the key properties of N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide?
N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 75370889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).