N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C30H39N7O5 — CID 159341385

About N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 159341385) has the molecular formula C30H39N7O5 and a molecular weight of 577.69 g/mol. Its IUPAC name is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 159341385
• Molecular Formula: C30H39N7O5
• Molecular Weight: 577.69 g/mol
• Exact Mass: 577.30
• IUPAC Name: N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCCc1cc(NC(=O)N2CCCc3cc(CN4CCN5CCCC5C4=O)c(C(OC)OC)nc32)ncc1C#N
• InChI: InChI=1S/C30H39N7O5/c1-40-14-6-8-20-16-25(32-18-23(20)17-31)33-30(39)37-11-4-7-21-15-22(26(34-27(21)37)29(41-2)42-3)19-36-13-12-35-10-5-9-24(35)28(36)38/h15-16,18,24,29H,4-14,19H2,1-3H3,(H,32,33,39)
• InChIKey: NWBKOIZWUIXFOB-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 133.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.69
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 159341385) is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCCc1cc(NC(=O)N2CCCc3cc(CN4CCN5CCCC5C4=O)c(C(OC)OC)nc32)ncc1C#N.

What is the InChIKey of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is NWBKOIZWUIXFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O5/c1-40-14-6-8-20-16-25(32-18-23(20)17-31)33-30(39)37-11-4-7-21-15-22(26(34-27(21)37)29(41-2)42-3)19-36-13-12-35-10-5-9-24(35)28(36)38/h15-16,18,24,29H,4-14,19H2,1-3H3,(H,32,33,39).

What are the key properties of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 577.69 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 159341385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).