N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C20H18F3N5O4 — CID 166626142

About N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166626142) has the molecular formula C20H18F3N5O4 and a molecular weight of 449.39 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 166626142
• Molecular Formula: C20H18F3N5O4
• Molecular Weight: 449.39 g/mol
• Exact Mass: 449.13
• IUPAC Name: N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N
• InChI: InChI=1S/C20H18F3N5O4/c1-31-7-8-32-15-9-16(25-11-13(15)10-24)27-19(30)28-6-2-3-12-4-5-14(26-18(12)28)17(29)20(21,22)23/h4-5,9,11H,2-3,6-8H2,1H3,(H,25,27,30)
• InChIKey: UASVVPMMWLZVOY-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 117.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.39
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166626142) is N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N.

What is the InChIKey of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is UASVVPMMWLZVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O4/c1-31-7-8-32-15-9-16(25-11-13(15)10-24)27-19(30)28-6-2-3-12-4-5-14(26-18(12)28)17(29)20(21,22)23/h4-5,9,11H,2-3,6-8H2,1H3,(H,25,27,30).

What are the key properties of N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 449.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166626142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).