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

C23H34F3N3O3 — CID 142943128

IUPAC6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane
SMILESCCC.O=C(C1CCC(NC2CCOCC2)C1)N1CCc2c(cc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C20H26F3N3O3.C3H8/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;1-3-2/h10,12,14-15,24H,1-9,11H2,(H,25,27);3H2,1-2H3
InChIKeyQRAGXNMDXTZKFU-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.63
Rot. Bonds3

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

6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane (PubChem CID 142943128) has the molecular formula C23H34F3N3O3 and a molecular weight of 457.54 g/mol. Its IUPAC name is 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane.

Molecular Properties

Compound Name6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane
PubChem CID142943128
Molecular FormulaC23H34F3N3O3
Molecular Weight457.54 g/mol
Exact Mass457.26
IUPAC Name6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane
SMILESCCC.O=C(C1CCC(NC2CCOCC2)C1)N1CCc2c(cc(C(F)(F)F)[nH]c2=O)C1
InChIInChI=1S/C20H26F3N3O3.C3H8/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;1-3-2/h10,12,14-15,24H,1-9,11H2,(H,25,27);3H2,1-2H3
InChIKeyQRAGXNMDXTZKFU-UHFFFAOYSA-N
XLogP3.63
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;propane?
The IUPAC name of 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane (CID 142943128) is 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane.
What is the SMILES notation for 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane?
The canonical SMILES for 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane is CCC.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;propane?
The InChIKey is QRAGXNMDXTZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3.C3H8/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;1-3-2/h10,12,14-15,24H,1-9,11H2,(H,25,27);3H2,1-2H3.
What are the key properties of 6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane?
6-[3-(oxan-4-ylamino)cyclopentanecarbonyl]-3-(trifluoromethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one;propane has a molecular weight of 457.54 g/mol, XLogP of 3.63, 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;propane is sourced from PubChem (CID 142943128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).