N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide

C21H22FN3O4 — CID 118474092

IUPACN-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide
SMILESNC(=O)CC1(NC(=O)c2ccc(C3CC3)c(Oc3ccc(F)cc3)n2)CCOC1
InChIInChI=1S/C21H22FN3O4/c22-14-3-5-15(6-4-14)29-20-16(13-1-2-13)7-8-17(24-20)19(27)25-21(11-18(23)26)9-10-28-12-21/h3-8,13H,1-2,9-12H2,(H2,23,26)(H,25,27)
InChIKeyWGPSUDKSIIRCJL-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.65
Rot. Bonds7

About N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide

N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide (PubChem CID 118474092) has the molecular formula C21H22FN3O4 and a molecular weight of 399.42 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide
PubChem CID118474092
Molecular FormulaC21H22FN3O4
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide
SMILESNC(=O)CC1(NC(=O)c2ccc(C3CC3)c(Oc3ccc(F)cc3)n2)CCOC1
InChIInChI=1S/C21H22FN3O4/c22-14-3-5-15(6-4-14)29-20-16(13-1-2-13)7-8-17(24-20)19(27)25-21(11-18(23)26)9-10-28-12-21/h3-8,13H,1-2,9-12H2,(H2,23,26)(H,25,27)
InChIKeyWGPSUDKSIIRCJL-UHFFFAOYSA-N
XLogP2.65
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide (CID 118474092) is N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide is NC(=O)CC1(NC(=O)c2ccc(C3CC3)c(Oc3ccc(F)cc3)n2)CCOC1.
What is the InChIKey of N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide?
The InChIKey is WGPSUDKSIIRCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4/c22-14-3-5-15(6-4-14)29-20-16(13-1-2-13)7-8-17(24-20)19(27)25-21(11-18(23)26)9-10-28-12-21/h3-8,13H,1-2,9-12H2,(H2,23,26)(H,25,27).
What are the key properties of N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide?
N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide is sourced from PubChem (CID 118474092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).