2-(3-methoxypropylamino)pyridine-3-carbonitrile

C10H13N3O — CID 17221189

IUPAC2-(3-methoxypropylamino)pyridine-3-carbonitrile
SMILESCOCCCNc1ncccc1C#N
InChIInChI=1S/C10H13N3O/c1-14-7-3-6-13-10-9(8-11)4-2-5-12-10/h2,4-5H,3,6-7H2,1H3,(H,12,13)
InChIKeyVNKLSMVFMKEQEQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.40
Rot. Bonds5

About 2-(3-methoxypropylamino)pyridine-3-carbonitrile

2-(3-methoxypropylamino)pyridine-3-carbonitrile (PubChem CID 17221189) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxypropylamino)pyridine-3-carbonitrile
PubChem CID17221189
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-(3-methoxypropylamino)pyridine-3-carbonitrile
SMILESCOCCCNc1ncccc1C#N
InChIInChI=1S/C10H13N3O/c1-14-7-3-6-13-10-9(8-11)4-2-5-12-10/h2,4-5H,3,6-7H2,1H3,(H,12,13)
InChIKeyVNKLSMVFMKEQEQ-UHFFFAOYSA-N
XLogP1.40
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.40
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 2-(3-methoxypropylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-methoxypropylamino)pyridine-3-carbonitrile (CID 17221189) is 2-(3-methoxypropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methoxypropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methoxypropylamino)pyridine-3-carbonitrile is COCCCNc1ncccc1C#N.
What is the InChIKey of 2-(3-methoxypropylamino)pyridine-3-carbonitrile?
The InChIKey is VNKLSMVFMKEQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-14-7-3-6-13-10-9(8-11)4-2-5-12-10/h2,4-5H,3,6-7H2,1H3,(H,12,13).
What are the key properties of 2-(3-methoxypropylamino)pyridine-3-carbonitrile?
2-(3-methoxypropylamino)pyridine-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 17221189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).