6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one

C20H26F3N3O3 — CID 142943079

IUPAC6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one
SMILESO=C(C1CCC(NC2CCOCC2)C1)N1CCc2c(cc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C20H26F3N3O3/c21-20(22,23)17-10-13-11-26(6-3-16(13)18(27)25-17)19(28)12-1-2-15(9-12)24-14-4-7-29-8-5-14/h10,12,14-15,24H,1-9,11H2,(H,25,27)
InChIKeyIPGBFOVBHTXWQT-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.22
Rot. Bonds3

About 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one

6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one (PubChem CID 142943079) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one
PubChem CID142943079
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Name6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one
SMILESO=C(C1CCC(NC2CCOCC2)C1)N1CCc2c(cc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C20H26F3N3O3/c21-20(22,23)17-10-13-11-26(6-3-16(13)18(27)25-17)19(28)12-1-2-15(9-12)24-14-4-7-29-8-5-14/h10,12,14-15,24H,1-9,11H2,(H,25,27)
InChIKeyIPGBFOVBHTXWQT-UHFFFAOYSA-N
XLogP2.22
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one?
The IUPAC name of 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one (CID 142943079) is 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one.
What is the SMILES notation for 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one?
The canonical SMILES for 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one is O=C(C1CCC(NC2CCOCC2)C1)N1CCc2c(cc(C(F)(F)F)[nH]c2=O)C1.
What is the InChIKey of 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one?
The InChIKey is IPGBFOVBHTXWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c21-20(22,23)17-10-13-11-26(6-3-16(13)18(27)25-17)19(28)12-1-2-15(9-12)24-14-4-7-29-8-5-14/h10,12,14-15,24H,1-9,11H2,(H,25,27).
What are the key properties of 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one?
6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one has a molecular weight of 413.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one is sourced from PubChem (CID 142943079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).