N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide

C15H23N3O3 — CID 79789251

IUPACN-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide
SMILESCOCCNCc1ccc(OCC(=O)N(C)C2CC2)cn1
InChIInChI=1S/C15H23N3O3/c1-18(13-4-5-13)15(19)11-21-14-6-3-12(17-10-14)9-16-7-8-20-2/h3,6,10,13,16H,4-5,7-9,11H2,1-2H3
InChIKeyVMCFHDXDQKOPBE-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.82
Rot. Bonds9

About N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide

N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide (PubChem CID 79789251) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide
PubChem CID79789251
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide
SMILESCOCCNCc1ccc(OCC(=O)N(C)C2CC2)cn1
InChIInChI=1S/C15H23N3O3/c1-18(13-4-5-13)15(19)11-21-14-6-3-12(17-10-14)9-16-7-8-20-2/h3,6,10,13,16H,4-5,7-9,11H2,1-2H3
InChIKeyVMCFHDXDQKOPBE-UHFFFAOYSA-N
XLogP0.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide (CID 79789251) is N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide is COCCNCc1ccc(OCC(=O)N(C)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide?
The InChIKey is VMCFHDXDQKOPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(13-4-5-13)15(19)11-21-14-6-3-12(17-10-14)9-16-7-8-20-2/h3,6,10,13,16H,4-5,7-9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide?
N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide has a molecular weight of 293.37 g/mol, XLogP of 0.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]-N-methylacetamide is sourced from PubChem (CID 79789251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).