N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide

C24H34N8 — CID 176516805

About N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide

N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide (PubChem CID 176516805) has the molecular formula C24H34N8 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide.

Molecular Properties

• Compound Name: N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide
• PubChem CID: 176516805
• Molecular Formula: C24H34N8
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.29
• IUPAC Name: N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide
• SMILES: [H]/N=C(/C=C(/C=N/[H])C(C)C)NC1=CC=C2NC=C(C(=C/NC)/C(=N/[H])N3CCCCC3)C=C2N1
• InChI: InChI=1S/C24H34N8/c1-16(2)17(13-25)12-22(26)31-23-8-7-20-21(30-23)11-18(14-29-20)19(15-28-3)24(27)32-9-5-4-6-10-32/h7-8,11-16,25,27-30H,4-6,9-10H2,1-3H3,(H2,26,31)/b17-12?,19-15-,25-13+,27-24-
• InChIKey: REARNEGNUZIWOC-ZQSXAZTOSA-N
• XLogP: 3.05
• TPSA: 122.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide?

The IUPAC name of N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide (CID 176516805) is N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide.

What is the SMILES notation for N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide?

The canonical SMILES for N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide is [H]/N=C(/C=C(/C=N/[H])C(C)C)NC1=CC=C2NC=C(C(=C/NC)/C(=N/[H])N3CCCCC3)C=C2N1.

What is the InChIKey of N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide?

The InChIKey is REARNEGNUZIWOC-ZQSXAZTOSA-N. The full InChI is InChI=1S/C24H34N8/c1-16(2)17(13-25)12-22(26)31-23-8-7-20-21(30-23)11-18(14-29-20)19(15-28-3)24(27)32-9-5-4-6-10-32/h7-8,11-16,25,27-30H,4-6,9-10H2,1-3H3,(H2,26,31)/b17-12?,19-15-,25-13+,27-24-.

What are the key properties of N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide?

N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide has a molecular weight of 434.59 g/mol, XLogP of 3.05, 7 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-[(Z)-3-imino-1-(methylamino)-3-piperidin-1-ylprop-1-en-2-yl]-1,5-dihydro-1,5-naphthyridin-2-yl]-3-methanimidoyl-4-methylpent-2-enimidamide is sourced from PubChem (CID 176516805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).