(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane

C36H43F6N5O6 — CID 159146024

About (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane

(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane (PubChem CID 159146024) has the molecular formula C36H43F6N5O6 and a molecular weight of 755.76 g/mol. Its IUPAC name is (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane.

Molecular Properties

• Compound Name: (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane
• PubChem CID: 159146024
• Molecular Formula: C36H43F6N5O6
• Molecular Weight: 755.76 g/mol
• Exact Mass: 755.31
• IUPAC Name: (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane
• SMILES: CCOCC.CC[C@]1(N)C[C@@H](c2ncc(N3CCC(C(=O)O)CC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(OC)ccc2N1C(=O)O
• InChI: InChI=1S/C32H33F6N5O5.C4H10O/c1-3-30(39)15-23(27-24(43(30)29(46)47)4-5-25(41-27)48-2)26-19(13-22(16-40-26)42-8-6-18(7-9-42)28(44)45)10-17-11-20(31(33,34)35)14-21(12-17)32(36,37)38;1-3-5-4-2/h4-5,11-14,16,18,23H,3,6-10,15,39H2,1-2H3,(H,44,45)(H,46,47);3-4H2,1-2H3/t23-,30+;/m0./s1
• InChIKey: KIROUJLGMNDWNH-YXPODLPPSA-N
• XLogP: 7.54
• TPSA: 151.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.76
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane?

The IUPAC name of (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane (CID 159146024) is (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane.

What is the SMILES notation for (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane?

The canonical SMILES for (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane is CCOCC.CC[C@]1(N)C[C@@H](c2ncc(N3CCC(C(=O)O)CC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nc(OC)ccc2N1C(=O)O.

What is the InChIKey of (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane?

The InChIKey is KIROUJLGMNDWNH-YXPODLPPSA-N. The full InChI is InChI=1S/C32H33F6N5O5.C4H10O/c1-3-30(39)15-23(27-24(43(30)29(46)47)4-5-25(41-27)48-2)26-19(13-22(16-40-26)42-8-6-18(7-9-42)28(44)45)10-17-11-20(31(33,34)35)14-21(12-17)32(36,37)38;1-3-5-4-2/h4-5,11-14,16,18,23H,3,6-10,15,39H2,1-2H3,(H,44,45)(H,46,47);3-4H2,1-2H3/t23-,30+;/m0./s1.

What are the key properties of (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane?

(2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane has a molecular weight of 755.76 g/mol, XLogP of 7.54, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-2-amino-4-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-carboxypiperidin-1-yl)-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid;ethoxyethane is sourced from PubChem (CID 159146024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).