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

C30H31F6N5O4 — CID 159060219

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

2-amino-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid (PubChem CID 159060219) has the molecular formula C30H31F6N5O4 and a molecular weight of 639.60 g/mol. Its IUPAC name is 2-amino-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-amino-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid
• PubChem CID: 159060219
• Molecular Formula: C30H31F6N5O4
• Molecular Weight: 639.60 g/mol
• Exact Mass: 639.23
• IUPAC Name: 2-amino-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid
• SMILES: CCC1(N)C(c2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2nc(OC)ccc2N1C(=O)O
• InChI: InChI=1S/C30H31F6N5O4/c1-3-28(37)22(15-23-24(41(28)27(42)43)4-5-25(39-23)44-2)26-18(13-21(16-38-26)40-6-8-45-9-7-40)10-17-11-19(29(31,32)33)14-20(12-17)30(34,35)36/h4-5,11-14,16,22H,3,6-10,15,37H2,1-2H3,(H,42,43)
• InChIKey: XIAYZMQSASHPQG-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 114.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.60
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-amino-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid (CID 159060219) is 2-amino-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid.

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

The canonical SMILES for 2-amino-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid is CCC1(N)C(c2ncc(N3CCOCC3)cc2Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2nc(OC)ccc2N1C(=O)O.

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

The InChIKey is XIAYZMQSASHPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F6N5O4/c1-3-28(37)22(15-23-24(41(28)27(42)43)4-5-25(39-23)44-2)26-18(13-21(16-38-26)40-6-8-45-9-7-40)10-17-11-19(29(31,32)33)14-20(12-17)30(34,35)36/h4-5,11-14,16,22H,3,6-10,15,37H2,1-2H3,(H,42,43).

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

2-amino-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid has a molecular weight of 639.60 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-morpholin-4-yl-2-pyridinyl]-2-ethyl-6-methoxy-3,4-dihydro-1,5-naphthyridine-1-carboxylic acid is sourced from PubChem (CID 159060219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).