5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile

C15H23N3O — CID 79151307

IUPAC5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile
SMILESCc1ccc(OCCCCC#N)c(CNC(C)C)n1
InChIInChI=1S/C15H23N3O/c1-12(2)17-11-14-15(8-7-13(3)18-14)19-10-6-4-5-9-16/h7-8,12,17H,4-6,10-11H2,1-3H3
InChIKeyNAWXPARAQHVORV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.96
Rot. Bonds8

About 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile

5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile (PubChem CID 79151307) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile.

Molecular Properties

Compound Name5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile
PubChem CID79151307
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile
SMILESCc1ccc(OCCCCC#N)c(CNC(C)C)n1
InChIInChI=1S/C15H23N3O/c1-12(2)17-11-14-15(8-7-13(3)18-14)19-10-6-4-5-9-16/h7-8,12,17H,4-6,10-11H2,1-3H3
InChIKeyNAWXPARAQHVORV-UHFFFAOYSA-N
XLogP2.96
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.96
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 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile?
The IUPAC name of 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile (CID 79151307) is 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile.
What is the SMILES notation for 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile?
The canonical SMILES for 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile is Cc1ccc(OCCCCC#N)c(CNC(C)C)n1.
What is the InChIKey of 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile?
The InChIKey is NAWXPARAQHVORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)17-11-14-15(8-7-13(3)18-14)19-10-6-4-5-9-16/h7-8,12,17H,4-6,10-11H2,1-3H3.
What are the key properties of 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile?
5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile has a molecular weight of 261.37 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-methyl-2-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanenitrile is sourced from PubChem (CID 79151307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).