ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate

C14H22N2O3 — CID 82893296

IUPACethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
SMILESCCOC(=O)CCCNCc1cc(OC)cc(C)n1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(17)6-5-7-15-10-12-9-13(18-3)8-11(2)16-12/h8-9,15H,4-7,10H2,1-3H3
InChIKeyUPVJYDLJIPTENH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds8

About ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate

ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate (PubChem CID 82893296) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
PubChem CID82893296
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
SMILESCCOC(=O)CCCNCc1cc(OC)cc(C)n1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(17)6-5-7-15-10-12-9-13(18-3)8-11(2)16-12/h8-9,15H,4-7,10H2,1-3H3
InChIKeyUPVJYDLJIPTENH-UHFFFAOYSA-N
XLogP1.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
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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Related Compounds

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 82893914
methyl 2-bromo-3-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]propanoate
CID 103492304
ethyl 4-(quinoxalin-2-ylmethylamino)butanoate
CID 64578319
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583
ethyl 4-[(4-methylphenyl)methylamino]butanoate
CID 60687567
ethyl 4-[(3,4,5-trifluorophenyl)methylamino]butanoate
CID 64580460
(2R)-2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 103933123
ethyl 4-[(4-cyano-3-methoxyphenyl)methylamino]butanoate
CID 106787556
ethyl 4-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoate
CID 64580647
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate?
The IUPAC name of ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate (CID 82893296) is ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate.
What is the SMILES notation for ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate?
The canonical SMILES for ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate is CCOC(=O)CCCNCc1cc(OC)cc(C)n1.
What is the InChIKey of ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate?
The InChIKey is UPVJYDLJIPTENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-14(17)6-5-7-15-10-12-9-13(18-3)8-11(2)16-12/h8-9,15H,4-7,10H2,1-3H3.
What are the key properties of ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate?
ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate has a molecular weight of 266.34 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate is sourced from PubChem (CID 82893296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).