methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine

C29H36N4O3 — CID 144986873

About methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine

methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 144986873) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

• Compound Name: methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine
• PubChem CID: 144986873
• Molecular Formula: C29H36N4O3
• Molecular Weight: 488.63 g/mol
• Exact Mass: 488.28
• IUPAC Name: methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine
• SMILES: CN(c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2.CNc1cnccc1C(=O)OC
• InChI: InChI=1S/C21H26N2O.C8H10N2O2/c1-22(21-7-6-17-4-2-3-5-18(17)16-21)19-8-10-20(11-9-19)23-12-14-24-15-13-23;1-9-7-5-10-4-3-6(7)8(11)12-2/h6-11,16H,2-5,12-15H2,1H3;3-5,9H,1-2H3
• InChIKey: YYSGITSZBXVFMU-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 66.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.63
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine?

The IUPAC name of methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine (CID 144986873) is methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine.

What is the SMILES notation for methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine?

The canonical SMILES for methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine is CN(c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2.CNc1cnccc1C(=O)OC.

What is the InChIKey of methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine?

The InChIKey is YYSGITSZBXVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.C8H10N2O2/c1-22(21-7-6-17-4-2-3-5-18(17)16-21)19-8-10-20(11-9-19)23-12-14-24-15-13-23;1-9-7-5-10-4-3-6(7)8(11)12-2/h6-11,16H,2-5,12-15H2,1H3;3-5,9H,1-2H3.

What are the key properties of methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine?

methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 488.63 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-(methylamino)pyridine-4-carboxylate;N-methyl-N-(4-morpholin-4-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 144986873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).