N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide

C16H27N3O2 — CID 79157524

IUPACN-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C)nc1CNCC
InChIInChI=1S/C16H27N3O2/c1-5-7-10-18-16(20)13(4)21-15-9-8-12(3)19-14(15)11-17-6-2/h8-9,13,17H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyQKXMZYVZAIPVQD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.18
Rot. Bonds9

About N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide

N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide (PubChem CID 79157524) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
PubChem CID79157524
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C)nc1CNCC
InChIInChI=1S/C16H27N3O2/c1-5-7-10-18-16(20)13(4)21-15-9-8-12(3)19-14(15)11-17-6-2/h8-9,13,17H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyQKXMZYVZAIPVQD-UHFFFAOYSA-N
XLogP2.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.18
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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Related Compounds

N-ethyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide
CID 79151205
N-ethyl-2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79150446
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)propanamide
CID 79157517
2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propylpropanamide
CID 79150870
2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79157729
N-ethyl-2-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79151419
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-N-propylpropanamide
CID 79157055
methyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propanoate
CID 79151146
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79151015
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79169410
2-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-pentan-2-ylpropanamide
CID 79163530
2-[[6-methyl-2-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79158480

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide?
The IUPAC name of N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide (CID 79157524) is N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide?
The canonical SMILES for N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide is CCCCNC(=O)C(C)Oc1ccc(C)nc1CNCC.
What is the InChIKey of N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide?
The InChIKey is QKXMZYVZAIPVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-7-10-18-16(20)13(4)21-15-9-8-12(3)19-14(15)11-17-6-2/h8-9,13,17H,5-7,10-11H2,1-4H3,(H,18,20).
What are the key properties of N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide?
N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]propanamide is sourced from PubChem (CID 79157524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).