N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C22H19ClN6O2 — CID 44628222

IUPACN-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4cnccc4n3)no2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-16-3-1-2-4-18(16)26-22(30)29-11-8-14(9-12-29)21-27-20(28-31-21)19-6-5-15-13-24-10-7-17(15)25-19/h1-7,10,13-14H,8-9,11-12H2,(H,26,30)
InChIKeyOJFVGGUAPWVWPJ-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.74
Rot. Bonds3

About N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 44628222) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID44628222
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC NameN-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4cnccc4n3)no2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-16-3-1-2-4-18(16)26-22(30)29-11-8-14(9-12-29)21-27-20(28-31-21)19-6-5-15-13-24-10-7-17(15)25-19/h1-7,10,13-14H,8-9,11-12H2,(H,26,30)
InChIKeyOJFVGGUAPWVWPJ-UHFFFAOYSA-N
XLogP4.74
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 44628222) is N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3ccc4cnccc4n3)no2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is OJFVGGUAPWVWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c23-16-3-1-2-4-18(16)26-22(30)29-11-8-14(9-12-29)21-27-20(28-31-21)19-6-5-15-13-24-10-7-17(15)25-19/h1-7,10,13-14H,8-9,11-12H2,(H,26,30).
What are the key properties of N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 434.89 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[3-(1,6-naphthyridin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 44628222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).