N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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

C57H69N15O8 — CID 164955554

About N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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 164955554) has the molecular formula C57H69N15O8 and a molecular weight of 1092.28 g/mol. Its IUPAC name is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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: 164955554
• Molecular Formula: C57H69N15O8
• Molecular Weight: 1092.28 g/mol
• Exact Mass: 1091.55
• IUPAC Name: N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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(CN4CCN(C5CN(C)C5)CC4=O)c(C=O)nc32)ncc1C#N.COCCCc1cc(NC(=O)N2CCCc3cc(CN4CCN5CCCC5C4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C29H36N8O4.C28H33N7O4/c1-34-16-24(17-34)35-8-9-36(27(39)18-35)15-22-11-21-5-3-7-37(28(21)32-25(22)19-38)29(40)33-26-12-20(6-4-10-41-2)23(13-30)14-31-26;1-39-12-4-6-19-14-25(30-16-22(19)15-29)32-28(38)35-9-2-5-20-13-21(23(18-36)31-26(20)35)17-34-11-10-33-8-3-7-24(33)27(34)37/h11-12,14,19,24H,3-10,15-18H2,1-2H3,(H,31,33,40);13-14,16,18,24H,2-12,17H2,1H3,(H,30,32,38)
• InChIKey: BCVWKPZJAYECGB-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 266.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.28
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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 164955554) is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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(CN4CCN(C5CN(C)C5)CC4=O)c(C=O)nc32)ncc1C#N.COCCCc1cc(NC(=O)N2CCCc3cc(CN4CCN5CCCC5C4=O)c(C=O)nc32)ncc1C#N.

What is the InChIKey of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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 BCVWKPZJAYECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O4.C28H33N7O4/c1-34-16-24(17-34)35-8-9-36(27(39)18-35)15-22-11-21-5-3-7-37(28(21)32-25(22)19-38)29(40)33-26-12-20(6-4-10-41-2)23(13-30)14-31-26;1-39-12-4-6-19-14-25(30-16-22(19)15-29)32-28(38)35-9-2-5-20-13-21(23(18-36)31-26(20)35)17-34-11-10-33-8-3-7-24(33)27(34)37/h11-12,14,19,24H,3-10,15-18H2,1-2H3,(H,31,33,40);13-14,16,18,24H,2-12,17H2,1H3,(H,30,32,38).

What are the key properties of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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 1092.28 g/mol, XLogP of 4.21, 17 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-6-[[4-(1-methylazetidin-3-yl)-2-oxopiperazin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-formyl-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 164955554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).