4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile

C10H13N3O — CID 62098645

IUPAC4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile
SMILESCc1ccc(OCCCC#N)c(N)n1
InChIInChI=1S/C10H13N3O/c1-8-4-5-9(10(12)13-8)14-7-3-2-6-11/h4-5H,2-3,7H2,1H3,(H2,12,13)
InChIKeyAHDRKUFLEWLDFG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.65
Rot. Bonds4

About 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile

4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile (PubChem CID 62098645) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile.

Molecular Properties

Compound Name4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile
PubChem CID62098645
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile
SMILESCc1ccc(OCCCC#N)c(N)n1
InChIInChI=1S/C10H13N3O/c1-8-4-5-9(10(12)13-8)14-7-3-2-6-11/h4-5H,2-3,7H2,1H3,(H2,12,13)
InChIKeyAHDRKUFLEWLDFG-UHFFFAOYSA-N
XLogP1.65
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile?
The IUPAC name of 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile (CID 62098645) is 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile.
What is the SMILES notation for 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile?
The canonical SMILES for 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile is Cc1ccc(OCCCC#N)c(N)n1.
What is the InChIKey of 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile?
The InChIKey is AHDRKUFLEWLDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-4-5-9(10(12)13-8)14-7-3-2-6-11/h4-5H,2-3,7H2,1H3,(H2,12,13).
What are the key properties of 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile?
4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile has a molecular weight of 191.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-methyl-3-pyridinyl)oxy]butanenitrile is sourced from PubChem (CID 62098645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).