6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine

C17H24N4O — CID 119081685

IUPAC6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCOCCCNc1cncc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C17H24N4O/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-19-11-14)20-6-3-7-22-2/h8-12,20H,3-7H2,1-2H3,(H2,18,21)
InChIKeyDFYOVMPZILDHIP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.60
Rot. Bonds8

About 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine

6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 119081685) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine
PubChem CID119081685
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCOCCCNc1cncc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C17H24N4O/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-19-11-14)20-6-3-7-22-2/h8-12,20H,3-7H2,1-2H3,(H2,18,21)
InChIKeyDFYOVMPZILDHIP-UHFFFAOYSA-N
XLogP2.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine (CID 119081685) is 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine is COCCCNc1cncc(CCc2cc(C)cc(N)n2)c1.
What is the InChIKey of 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is DFYOVMPZILDHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-8-15(21-17(18)9-13)5-4-14-10-16(12-19-11-14)20-6-3-7-22-2/h8-12,20H,3-7H2,1-2H3,(H2,18,21).
What are the key properties of 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(3-methoxypropylamino)-3-pyridinyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 119081685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).