cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate

C20H23FN2O4 — CID 175849030

IUPACcyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate
SMILESCC(C)(O)c1cc(-c2ccc(F)cc2)nc(C(O)CNC(=O)OC2CC2)c1
InChIInChI=1S/C20H23FN2O4/c1-20(2,26)13-9-16(12-3-5-14(21)6-4-12)23-17(10-13)18(24)11-22-19(25)27-15-7-8-15/h3-6,9-10,15,18,24,26H,7-8,11H2,1-2H3,(H,22,25)
InChIKeyNNNQMUXFJUVABJ-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.04
Rot. Bonds6

About cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate

cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate (PubChem CID 175849030) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate
PubChem CID175849030
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Namecyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate
SMILESCC(C)(O)c1cc(-c2ccc(F)cc2)nc(C(O)CNC(=O)OC2CC2)c1
InChIInChI=1S/C20H23FN2O4/c1-20(2,26)13-9-16(12-3-5-14(21)6-4-12)23-17(10-13)18(24)11-22-19(25)27-15-7-8-15/h3-6,9-10,15,18,24,26H,7-8,11H2,1-2H3,(H,22,25)
InChIKeyNNNQMUXFJUVABJ-UHFFFAOYSA-N
XLogP3.04
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate?
The IUPAC name of cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate (CID 175849030) is cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate.
What is the SMILES notation for cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate?
The canonical SMILES for cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate is CC(C)(O)c1cc(-c2ccc(F)cc2)nc(C(O)CNC(=O)OC2CC2)c1.
What is the InChIKey of cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate?
The InChIKey is NNNQMUXFJUVABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-20(2,26)13-9-16(12-3-5-14(21)6-4-12)23-17(10-13)18(24)11-22-19(25)27-15-7-8-15/h3-6,9-10,15,18,24,26H,7-8,11H2,1-2H3,(H,22,25).
What are the key properties of cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate?
cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate has a molecular weight of 374.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[2-[6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]carbamate is sourced from PubChem (CID 175849030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).