2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine

C₅₀H₇₅ClN₁₀O₆ — CID 159898093

About 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine

2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine (PubChem CID 159898093) has the molecular formula C₅₀H₇₅ClN₁₀O₆ and a molecular weight of 947.67 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
• PubChem CID: 159898093
• Molecular Formula: C₅₀H₇₅ClN₁₀O₆
• Molecular Weight: 947.67 g/mol
• Exact Mass: 946.56
• IUPAC Name: 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
• SMILES: COc1cnc(N)cc1OCCCN1CCCC1.COc1cnc(Nc2cc(NCC3CCOCC3)cc(C)n2)cc1OCCCN1CCCC1.Cc1cc(NCC2CCOCC2)cc(Cl)n1
• InChI: InChI=1S/C25H37N5O3.C13H21N3O2.C12H17ClN2O/c1-19-14-21(26-17-20-6-12-32-13-7-20)15-25(28-19)29-24-16-22(23(31-2)18-27-24)33-11-5-10-30-8-3-4-9-30;1-17-12-10-15-13(14)9-11(12)18-8-4-7-16-5-2-3-6-16;1-9-6-11(7-12(13)15-9)14-8-10-2-4-16-5-3-10/h14-16,18,20H,3-13,17H2,1-2H3,(H2,26,27,28,29);9-10H,2-8H2,1H3,(H2,14,15);6-7,10H,2-5,8H2,1H3,(H,14,15)
• InChIKey: NVPJTAMMQOSFRE-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 175.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	947.67
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?

The IUPAC name of 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine (CID 159898093) is 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine.

What is the SMILES notation for 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?

The canonical SMILES for 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine is COc1cnc(N)cc1OCCCN1CCCC1.COc1cnc(Nc2cc(NCC3CCOCC3)cc(C)n2)cc1OCCCN1CCCC1.Cc1cc(NCC2CCOCC2)cc(Cl)n1.

What is the InChIKey of 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?

The InChIKey is NVPJTAMMQOSFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3.C13H21N3O2.C12H17ClN2O/c1-19-14-21(26-17-20-6-12-32-13-7-20)15-25(28-19)29-24-16-22(23(31-2)18-27-24)33-11-5-10-30-8-3-4-9-30;1-17-12-10-15-13(14)9-11(12)18-8-4-7-16-5-2-3-6-16;1-9-6-11(7-12(13)15-9)14-8-10-2-4-16-5-3-10/h14-16,18,20H,3-13,17H2,1-2H3,(H2,26,27,28,29);9-10H,2-8H2,1H3,(H2,14,15);6-7,10H,2-5,8H2,1H3,(H,14,15).

What are the key properties of 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine?

2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine has a molecular weight of 947.67 g/mol, XLogP of 8.66, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-N-(oxan-4-ylmethyl)pyridin-4-amine;5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine;2-N-[5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]-6-methyl-4-N-(oxan-4-ylmethyl)pyridine-2,4-diamine is sourced from PubChem (CID 159898093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159898093 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.