3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide

C12H19N3O2 — CID 62989370

IUPAC3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1cc(CNCCC(=O)N(C)C)ccn1
InChIInChI=1S/C12H19N3O2/c1-15(2)12(16)5-6-13-9-10-4-7-14-11(8-10)17-3/h4,7-8,13H,5-6,9H2,1-3H3
InChIKeyCYHXWIHJIBQKQT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.66
Rot. Bonds6

About 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide

3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide (PubChem CID 62989370) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
PubChem CID62989370
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
SMILESCOc1cc(CNCCC(=O)N(C)C)ccn1
InChIInChI=1S/C12H19N3O2/c1-15(2)12(16)5-6-13-9-10-4-7-14-11(8-10)17-3/h4,7-8,13H,5-6,9H2,1-3H3
InChIKeyCYHXWIHJIBQKQT-UHFFFAOYSA-N
XLogP0.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.66
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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Related Compounds

ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191308
3-[[3-(methoxymethyl)phenyl]methylamino]-N,N-dimethylpropanamide
CID 54896362
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 65341239
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
(Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid
CID 103250162
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62992810

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide (CID 62989370) is 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide is COc1cc(CNCCC(=O)N(C)C)ccn1.
What is the InChIKey of 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is CYHXWIHJIBQKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)12(16)5-6-13-9-10-4-7-14-11(8-10)17-3/h4,7-8,13H,5-6,9H2,1-3H3.
What are the key properties of 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide?
3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 62989370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).