1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide

C19H20N5O4+ — CID 118038217

About 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide

1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (PubChem CID 118038217) has the molecular formula C19H20N5O4+ and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.

Molecular Properties

• Compound Name: 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
• PubChem CID: 118038217
• Molecular Formula: C19H20N5O4+
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.15
• IUPAC Name: 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide
• SMILES: COCCOc1cc([N+]2(C(N)=O)CCCc3ccc(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C19H19N5O4/c1-27-7-8-28-16-9-17(22-11-14(16)10-20)24(19(21)26)6-2-3-13-4-5-15(12-25)23-18(13)24/h4-5,9,11-12H,2-3,6-8H2,1H3,(H-,21,26)/p+1
• InChIKey: ABRVQRHVWSUJSS-UHFFFAOYSA-O
• XLogP: 1.85
• TPSA: 128.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.40
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide (CID 118038217) is 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide.

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

The canonical SMILES for 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is COCCOc1cc([N+]2(C(N)=O)CCCc3ccc(C=O)nc32)ncc1C#N.

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

The InChIKey is ABRVQRHVWSUJSS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19N5O4/c1-27-7-8-28-16-9-17(22-11-14(16)10-20)24(19(21)26)6-2-3-13-4-5-15(12-25)23-18(13)24/h4-5,9,11-12H,2-3,6-8H2,1H3,(H-,21,26)/p+1.

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

1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridin-1-ium-1-carboxamide is sourced from PubChem (CID 118038217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).