2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid

C20H24FN3O3 — CID 68783242

IUPAC2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid
SMILESCC(C)(C)CN(C(=O)O)C1(COc2cnc(F)c(-c3cccnc3)c2)CC1
InChIInChI=1S/C20H24FN3O3/c1-19(2,3)12-24(18(25)26)20(6-7-20)13-27-15-9-16(17(21)23-11-15)14-5-4-8-22-10-14/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,25,26)
InChIKeyFBQARNSUYQBIFZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.22
Rot. Bonds6

About 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid

2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid (PubChem CID 68783242) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid
PubChem CID68783242
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid
SMILESCC(C)(C)CN(C(=O)O)C1(COc2cnc(F)c(-c3cccnc3)c2)CC1
InChIInChI=1S/C20H24FN3O3/c1-19(2,3)12-24(18(25)26)20(6-7-20)13-27-15-9-16(17(21)23-11-15)14-5-4-8-22-10-14/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,25,26)
InChIKeyFBQARNSUYQBIFZ-UHFFFAOYSA-N
XLogP4.22
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid?
The IUPAC name of 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid (CID 68783242) is 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid.
What is the SMILES notation for 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid?
The canonical SMILES for 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid is CC(C)(C)CN(C(=O)O)C1(COc2cnc(F)c(-c3cccnc3)c2)CC1.
What is the InChIKey of 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid?
The InChIKey is FBQARNSUYQBIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-19(2,3)12-24(18(25)26)20(6-7-20)13-27-15-9-16(17(21)23-11-15)14-5-4-8-22-10-14/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,25,26).
What are the key properties of 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid?
2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid has a molecular weight of 373.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-[1-[(6-fluoro-5-pyridin-3-yl-3-pyridinyl)oxymethyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 68783242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).