N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide

C21H20F2N4O4 — CID 171735990

About N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide

N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide (PubChem CID 171735990) has the molecular formula C21H20F2N4O4 and a molecular weight of 430.41 g/mol. Its IUPAC name is N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide
• PubChem CID: 171735990
• Molecular Formula: C21H20F2N4O4
• Molecular Weight: 430.41 g/mol
• Exact Mass: 430.15
• IUPAC Name: N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide
• SMILES: C=CC(=O)NCc1cc2c(cn1)CN(c1c(F)c(OC)nc(OC)c1F)C(=O)C21CC1
• InChI: InChI=1S/C21H20F2N4O4/c1-4-14(28)25-9-12-7-13-11(8-24-12)10-27(20(29)21(13)5-6-21)17-15(22)18(30-2)26-19(31-3)16(17)23/h4,7-8H,1,5-6,9-10H2,2-3H3,(H,25,28)
• InChIKey: WVVDRTQPKRPGAK-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.41
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide?

The IUPAC name of N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide (CID 171735990) is N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide.

What is the SMILES notation for N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide?

The canonical SMILES for N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide is C=CC(=O)NCc1cc2c(cn1)CN(c1c(F)c(OC)nc(OC)c1F)C(=O)C21CC1.

What is the InChIKey of N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide?

The InChIKey is WVVDRTQPKRPGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4/c1-4-14(28)25-9-12-7-13-11(8-24-12)10-27(20(29)21(13)5-6-21)17-15(22)18(30-2)26-19(31-3)16(17)23/h4,7-8H,1,5-6,9-10H2,2-3H3,(H,25,28).

What are the key properties of N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide?

N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide has a molecular weight of 430.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide is sourced from PubChem (CID 171735990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).