4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide

C16H25N3O2 — CID 79158444

IUPAC4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide
SMILESCc1ccc(OCCCC(=O)N(C)C)c(CNC2CC2)n1
InChIInChI=1S/C16H25N3O2/c1-12-6-9-15(14(18-12)11-17-13-7-8-13)21-10-4-5-16(20)19(2)3/h6,9,13,17H,4-5,7-8,10-11H2,1-3H3
InChIKeyYSYFRADXJPQTJQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.89
Rot. Bonds8

About 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide

4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide (PubChem CID 79158444) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide
PubChem CID79158444
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide
SMILESCc1ccc(OCCCC(=O)N(C)C)c(CNC2CC2)n1
InChIInChI=1S/C16H25N3O2/c1-12-6-9-15(14(18-12)11-17-13-7-8-13)21-10-4-5-16(20)19(2)3/h6,9,13,17H,4-5,7-8,10-11H2,1-3H3
InChIKeyYSYFRADXJPQTJQ-UHFFFAOYSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide with MolForge

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Related Compounds

3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504
6-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]hexan-1-ol
CID 107702712
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766
4-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]-N,N-dimethylbutanamide
CID 63046064
4-[(2-amino-6-methyl-3-pyridinyl)oxy]-N,N-dimethylbutanamide
CID 62100009
propan-2-yl 2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]acetate
CID 79157755
1-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2-methylpropan-2-ol
CID 79158447
N-[(3-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79156389
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-propylacetamide
CID 79158938
4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
CID 79156387
2-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N-prop-2-enylacetamide
CID 79158298
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79262671

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide?
The IUPAC name of 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide (CID 79158444) is 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide is Cc1ccc(OCCCC(=O)N(C)C)c(CNC2CC2)n1.
What is the InChIKey of 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide?
The InChIKey is YSYFRADXJPQTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-6-9-15(14(18-12)11-17-13-7-8-13)21-10-4-5-16(20)19(2)3/h6,9,13,17H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide?
4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-N,N-dimethylbutanamide is sourced from PubChem (CID 79158444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).