N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide

C15H23N3O2 — CID 79781850

IUPACN-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NCC2CC2)cn1
InChIInChI=1S/C15H23N3O2/c1-2-7-16-9-13-5-6-14(10-17-13)20-11-15(19)18-8-12-3-4-12/h5-6,10,12,16H,2-4,7-9,11H2,1H3,(H,18,19)
InChIKeyPVNIGDUBBUJUDT-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.49
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide

N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide (PubChem CID 79781850) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
PubChem CID79781850
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NCC2CC2)cn1
InChIInChI=1S/C15H23N3O2/c1-2-7-16-9-13-5-6-14(10-17-13)20-11-15(19)18-8-12-3-4-12/h5-6,10,12,16H,2-4,7-9,11H2,1H3,(H,18,19)
InChIKeyPVNIGDUBBUJUDT-UHFFFAOYSA-N
XLogP1.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
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 N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide (CID 79781850) is N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide is CCCNCc1ccc(OCC(=O)NCC2CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
The InChIKey is PVNIGDUBBUJUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-7-16-9-13-5-6-14(10-17-13)20-11-15(19)18-8-12-3-4-12/h5-6,10,12,16H,2-4,7-9,11H2,1H3,(H,18,19).
What are the key properties of N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide?
N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 79781850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).