butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate

C15H24N2O3 — CID 79782868

IUPACbutyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate
SMILESCCCCOC(=O)COc1ccc(CNC(C)C)nc1
InChIInChI=1S/C15H24N2O3/c1-4-5-8-19-15(18)11-20-14-7-6-13(17-10-14)9-16-12(2)3/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3
InChIKeySREQNNNFSPOWNY-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.30
Rot. Bonds9

About butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate

butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate (PubChem CID 79782868) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namebutyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate
PubChem CID79782868
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namebutyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate
SMILESCCCCOC(=O)COc1ccc(CNC(C)C)nc1
InChIInChI=1S/C15H24N2O3/c1-4-5-8-19-15(18)11-20-14-7-6-13(17-10-14)9-16-12(2)3/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3
InChIKeySREQNNNFSPOWNY-UHFFFAOYSA-N
XLogP2.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79781895
ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
CID 83037341
butyl 2-[(6-formyl-3-pyridinyl)oxy]acetate
CID 79794234
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784006
N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781493
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
N-[[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 116615138
N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999859
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate?
The IUPAC name of butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate (CID 79782868) is butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate.
What is the SMILES notation for butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate?
The canonical SMILES for butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate is CCCCOC(=O)COc1ccc(CNC(C)C)nc1.
What is the InChIKey of butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate?
The InChIKey is SREQNNNFSPOWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-5-8-19-15(18)11-20-14-7-6-13(17-10-14)9-16-12(2)3/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3.
What are the key properties of butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate?
butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate has a molecular weight of 280.37 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate is sourced from PubChem (CID 79782868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).