1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane

C76H96AlCl2N15O4 — CID 157103186

About 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane

1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane (PubChem CID 157103186) has the molecular formula C76H96AlCl2N15O4 and a molecular weight of 1381.59 g/mol. Its IUPAC name is 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane.

Molecular Properties

• Compound Name: 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane
• PubChem CID: 157103186
• Molecular Formula: C76H96AlCl2N15O4
• Molecular Weight: 1381.59 g/mol
• Exact Mass: 1379.70
• IUPAC Name: 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane
• SMILES: CN1CCC(CC(=O)c2ccc(-c3cc(Cl)c4cnccc4n3)cn2)CC1.CN1CCC(CC(=O)c2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)cn2)CC1.COC(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cn1.C[Al](C)C.NCCCN1CCCCC1
• InChI: InChI=1S/C29H38N6O.C21H21ClN4O.C15H10ClN3O2.C8H18N2.3CH3.Al/c1-34-16-9-22(10-17-34)18-29(36)26-7-6-23(20-32-26)27-19-28(24-21-30-12-8-25(24)33-27)31-11-5-15-35-13-3-2-4-14-35;1-26-8-5-14(6-9-26)10-21(27)19-3-2-15(12-24-19)20-11-17(22)16-13-23-7-4-18(16)25-20;1-21-15(20)13-3-2-9(7-18-13)14-6-11(16)10-8-17-5-4-12(10)19-14;9-5-4-8-10-6-2-1-3-7-10;;;;/h6-8,12,19-22H,2-5,9-11,13-18H2,1H3,(H,31,33);2-4,7,11-14H,5-6,8-10H2,1H3;2-8H,1H3;1-9H2;3*1H3
• InChIKey: RAWLQRWMTMVTAW-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 227.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.59
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane?

The IUPAC name of 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane (CID 157103186) is 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane.

What is the SMILES notation for 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane?

The canonical SMILES for 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane is CN1CCC(CC(=O)c2ccc(-c3cc(Cl)c4cnccc4n3)cn2)CC1.CN1CCC(CC(=O)c2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)cn2)CC1.COC(=O)c1ccc(-c2cc(Cl)c3cnccc3n2)cn1.C[Al](C)C.NCCCN1CCCCC1.

What is the InChIKey of 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane?

The InChIKey is RAWLQRWMTMVTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O.C21H21ClN4O.C15H10ClN3O2.C8H18N2.3CH3.Al/c1-34-16-9-22(10-17-34)18-29(36)26-7-6-23(20-32-26)27-19-28(24-21-30-12-8-25(24)33-27)31-11-5-15-35-13-3-2-4-14-35;1-26-8-5-14(6-9-26)10-21(27)19-3-2-15(12-24-19)20-11-17(22)16-13-23-7-4-18(16)25-20;1-21-15(20)13-3-2-9(7-18-13)14-6-11(16)10-8-17-5-4-12(10)19-14;9-5-4-8-10-6-2-1-3-7-10;;;;/h6-8,12,19-22H,2-5,9-11,13-18H2,1H3,(H,31,33);2-4,7,11-14H,5-6,8-10H2,1H3;2-8H,1H3;1-9H2;3*1H3;.

What are the key properties of 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane?

1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane has a molecular weight of 1381.59 g/mol, XLogP of 14.48, 18 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-chloro-1,6-naphthyridin-2-yl)-2-pyridinyl]-2-(1-methylpiperidin-4-yl)ethanone;methyl 5-(4-chloro-1,6-naphthyridin-2-yl)pyridine-2-carboxylate;2-(1-methylpiperidin-4-yl)-1-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]-2-pyridinyl]ethanone;3-piperidin-1-ylpropan-1-amine;trimethylalumane is sourced from PubChem (CID 157103186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).