cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate

C38H48Cl3N7O6 — CID 158243940

About cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate

cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate (PubChem CID 158243940) has the molecular formula C38H48Cl3N7O6 and a molecular weight of 805.20 g/mol. Its IUPAC name is cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate
• PubChem CID: 158243940
• Molecular Formula: C38H48Cl3N7O6
• Molecular Weight: 805.20 g/mol
• Exact Mass: 803.27
• IUPAC Name: cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CCOC(=O)c1cnc2ccc(Cl)nc2c1NC1CCN(C(=O)OC(C)(C)C)CC1.NC1CCCCC1
• InChI: InChI=1S/C21H27ClN4O4.C11H8Cl2N2O2.C6H13N/c1-5-29-19(27)14-12-23-15-6-7-16(22)25-18(15)17(14)24-13-8-10-26(11-9-13)20(28)30-21(2,3)4;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;7-6-4-2-1-3-5-6/h6-7,12-13H,5,8-11H2,1-4H3,(H,23,24);3-5H,2H2,1H3;6H,1-5,7H2
• InChIKey: GFWVLPYXVGSQDV-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 171.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	805.20
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate?

The IUPAC name of cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate (CID 158243940) is cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate.

What is the SMILES notation for cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate?

The canonical SMILES for cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl.CCOC(=O)c1cnc2ccc(Cl)nc2c1NC1CCN(C(=O)OC(C)(C)C)CC1.NC1CCCCC1.

What is the InChIKey of cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate?

The InChIKey is GFWVLPYXVGSQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O4.C11H8Cl2N2O2.C6H13N/c1-5-29-19(27)14-12-23-15-6-7-16(22)25-18(15)17(14)24-13-8-10-26(11-9-13)20(28)30-21(2,3)4;1-2-17-11(16)6-5-14-7-3-4-8(12)15-10(7)9(6)13;7-6-4-2-1-3-5-6/h6-7,12-13H,5,8-11H2,1-4H3,(H,23,24);3-5H,2H2,1H3;6H,1-5,7H2.

What are the key properties of cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate?

cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate has a molecular weight of 805.20 g/mol, XLogP of 8.66, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexanamine;ethyl 6-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,5-naphthyridine-3-carboxylate;ethyl 4,6-dichloro-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 158243940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).