N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide

C24H30F3N3O3 — CID 71518573

IUPACN-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1)C1CCOCC1
InChIInChI=1S/C24H30F3N3O3/c25-24(26,27)18-10-16-14-30(7-3-20(16)28-13-18)22(32)23-6-1-2-17(23)11-19(12-23)29-21(31)15-4-8-33-9-5-15/h10,13,15,17,19H,1-9,11-12,14H2,(H,29,31)/t17-,19-,23-/m1/s1
InChIKeyGLWFJEKSPATKBS-LYHRCORUSA-N
MW465.52 g/mol
LogP3.48
Rot. Bonds3

About N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide

N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide (PubChem CID 71518573) has the molecular formula C24H30F3N3O3 and a molecular weight of 465.52 g/mol. Its IUPAC name is N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide
PubChem CID71518573
Molecular FormulaC24H30F3N3O3
Molecular Weight465.52 g/mol
Exact Mass465.22
IUPAC NameN-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1)C1CCOCC1
InChIInChI=1S/C24H30F3N3O3/c25-24(26,27)18-10-16-14-30(7-3-20(16)28-13-18)22(32)23-6-1-2-17(23)11-19(12-23)29-21(31)15-4-8-33-9-5-15/h10,13,15,17,19H,1-9,11-12,14H2,(H,29,31)/t17-,19-,23-/m1/s1
InChIKeyGLWFJEKSPATKBS-LYHRCORUSA-N
XLogP3.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide (CID 71518573) is N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide is O=C(N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1)C1CCOCC1.
What is the InChIKey of N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide?
The InChIKey is GLWFJEKSPATKBS-LYHRCORUSA-N. The full InChI is InChI=1S/C24H30F3N3O3/c25-24(26,27)18-10-16-14-30(7-3-20(16)28-13-18)22(32)23-6-1-2-17(23)11-19(12-23)29-21(31)15-4-8-33-9-5-15/h10,13,15,17,19H,1-9,11-12,14H2,(H,29,31)/t17-,19-,23-/m1/s1.
What are the key properties of N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide?
N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3aR,6aR)-6a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-2,3,3a,4,5,6-hexahydro-1H-pentalen-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 71518573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).