1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide

C20H21F2N5O2 — CID 138589066

IUPAC1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESCC(F)(F)CN1CCC(C(=O)Nc2cc3cc(-c4cnco4)cnc3cn2)CC1
InChIInChI=1S/C20H21F2N5O2/c1-20(21,22)11-27-4-2-13(3-5-27)19(28)26-18-7-14-6-15(17-10-23-12-29-17)8-24-16(14)9-25-18/h6-10,12-13H,2-5,11H2,1H3,(H,25,26,28)
InChIKeyISPDXUPFMBCITB-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.59
Rot. Bonds5

About 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide

1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (PubChem CID 138589066) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
PubChem CID138589066
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESCC(F)(F)CN1CCC(C(=O)Nc2cc3cc(-c4cnco4)cnc3cn2)CC1
InChIInChI=1S/C20H21F2N5O2/c1-20(21,22)11-27-4-2-13(3-5-27)19(28)26-18-7-14-6-15(17-10-23-12-29-17)8-24-16(14)9-25-18/h6-10,12-13H,2-5,11H2,1H3,(H,25,26,28)
InChIKeyISPDXUPFMBCITB-UHFFFAOYSA-N
XLogP3.59
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (CID 138589066) is 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is CC(F)(F)CN1CCC(C(=O)Nc2cc3cc(-c4cnco4)cnc3cn2)CC1.
What is the InChIKey of 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The InChIKey is ISPDXUPFMBCITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c1-20(21,22)11-27-4-2-13(3-5-27)19(28)26-18-7-14-6-15(17-10-23-12-29-17)8-24-16(14)9-25-18/h6-10,12-13H,2-5,11H2,1H3,(H,25,26,28).
What are the key properties of 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-N-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138589066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).