2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile

C13H20N4O2 — CID 59865318

IUPAC2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile
SMILESCc1cc(NCCOCCCCO)nc(N)c1C#N
InChIInChI=1S/C13H20N4O2/c1-10-8-12(17-13(15)11(10)9-14)16-4-7-19-6-3-2-5-18/h8,18H,2-7H2,1H3,(H3,15,16,17)
InChIKeyAJYIOJDDOFWXKW-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.04
Rot. Bonds8

About 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile

2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile (PubChem CID 59865318) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile
PubChem CID59865318
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile
SMILESCc1cc(NCCOCCCCO)nc(N)c1C#N
InChIInChI=1S/C13H20N4O2/c1-10-8-12(17-13(15)11(10)9-14)16-4-7-19-6-3-2-5-18/h8,18H,2-7H2,1H3,(H3,15,16,17)
InChIKeyAJYIOJDDOFWXKW-UHFFFAOYSA-N
XLogP1.04
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile (CID 59865318) is 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile is Cc1cc(NCCOCCCCO)nc(N)c1C#N.
What is the InChIKey of 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile?
The InChIKey is AJYIOJDDOFWXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-8-12(17-13(15)11(10)9-14)16-4-7-19-6-3-2-5-18/h8,18H,2-7H2,1H3,(H3,15,16,17).
What are the key properties of 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile?
2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(4-hydroxybutoxy)ethylamino]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 59865318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).