N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide

C19H21FN2O3 — CID 166305163

IUPACN-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)n1ccc(C(=O)NC2(c3ccccc3F)CC(O)C2)cc1=O
InChIInChI=1S/C19H21FN2O3/c1-12(2)22-8-7-13(9-17(22)24)18(25)21-19(10-14(23)11-19)15-5-3-4-6-16(15)20/h3-9,12,14,23H,10-11H2,1-2H3,(H,21,25)
InChIKeyPQGJAAOBZZIWOW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.35
Rot. Bonds4

About N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide

N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide (PubChem CID 166305163) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide
PubChem CID166305163
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)n1ccc(C(=O)NC2(c3ccccc3F)CC(O)C2)cc1=O
InChIInChI=1S/C19H21FN2O3/c1-12(2)22-8-7-13(9-17(22)24)18(25)21-19(10-14(23)11-19)15-5-3-4-6-16(15)20/h3-9,12,14,23H,10-11H2,1-2H3,(H,21,25)
InChIKeyPQGJAAOBZZIWOW-UHFFFAOYSA-N
XLogP2.35
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide (CID 166305163) is N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide is CC(C)n1ccc(C(=O)NC2(c3ccccc3F)CC(O)C2)cc1=O.
What is the InChIKey of N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide?
The InChIKey is PQGJAAOBZZIWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12(2)22-8-7-13(9-17(22)24)18(25)21-19(10-14(23)11-19)15-5-3-4-6-16(15)20/h3-9,12,14,23H,10-11H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide?
N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-3-hydroxycyclobutyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 166305163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).