5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C27H38N6O4 — CID 154671883

About 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 154671883) has the molecular formula C27H38N6O4 and a molecular weight of 510.64 g/mol. Its IUPAC name is 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 154671883
• Molecular Formula: C27H38N6O4
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.30
• IUPAC Name: 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCN(C5CNC5)CC4)c(OC)c3)cn(C)c(=O)c2C1
• InChI: InChI=1S/C27H38N6O4/c1-28-27(35)33-6-5-20-21(15-30(2)26(34)22(20)17-33)18-11-24(36-3)23(25(12-18)37-4)16-31-7-9-32(10-8-31)19-13-29-14-19/h11-12,15,19,29H,5-10,13-14,16-17H2,1-4H3,(H,28,35)
• InChIKey: MLQOYECVVCMFGH-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 91.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 154671883) is 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is CNC(=O)N1CCc2c(-c3cc(OC)c(CN4CCN(C5CNC5)CC4)c(OC)c3)cn(C)c(=O)c2C1.

What is the InChIKey of 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is MLQOYECVVCMFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O4/c1-28-27(35)33-6-5-20-21(15-30(2)26(34)22(20)17-33)18-11-24(36-3)23(25(12-18)37-4)16-31-7-9-32(10-8-31)19-13-29-14-19/h11-12,15,19,29H,5-10,13-14,16-17H2,1-4H3,(H,28,35).

What are the key properties of 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-(azetidin-3-yl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-N,7-dimethyl-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 154671883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).