methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate

C17H27N3O4 — CID 176559725

IUPACmethyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cc(N(C=O)CCCCCCCCN)ccc1=O
InChIInChI=1S/C17H27N3O4/c1-24-17(23)13-20-12-15(8-9-16(20)22)19(14-21)11-7-5-3-2-4-6-10-18/h8-9,12,14H,2-7,10-11,13,18H2,1H3
InChIKeySBAHGJAMMNAVBG-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.28
Rot. Bonds12

About methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate

methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate (PubChem CID 176559725) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate
PubChem CID176559725
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Namemethyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cc(N(C=O)CCCCCCCCN)ccc1=O
InChIInChI=1S/C17H27N3O4/c1-24-17(23)13-20-12-15(8-9-16(20)22)19(14-21)11-7-5-3-2-4-6-10-18/h8-9,12,14H,2-7,10-11,13,18H2,1H3
InChIKeySBAHGJAMMNAVBG-UHFFFAOYSA-N
XLogP1.28
TPSA94.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate
CID 176932525
2-[5-[14-aminotetradecyl(formyl)amino]-2-oxo-1-pyridinyl]acetic acid
CID 169213961
methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate;4-piperidin-1-ylisoquinoline
CID 176559724
methyl 2-(5-methoxy-2-oxo-1-pyridinyl)acetate
CID 165131409
methyl 6-[formyl(pyridin-3-yl)amino]hexanoate
CID 71430476
methyl 2-(2-oxo-5-piperidin-1-ylsulfonyl-1-pyridinyl)acetate
CID 53170566
methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
CID 55210676
methyl 2-[5-aminopentyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63383203
methyl 2-(N-formyl-4-hydroxyanilino)acetate
CID 22630303
methoxymethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 65364298
methyl 2-[3-(5-aminopentyl)-2-anilino-4H-quinazolin-4-yl]acetate
CID 25112354
pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814988

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate (CID 176559725) is methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate is COC(=O)Cn1cc(N(C=O)CCCCCCCCN)ccc1=O.
What is the InChIKey of methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate?
The InChIKey is SBAHGJAMMNAVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-24-17(23)13-20-12-15(8-9-16(20)22)19(14-21)11-7-5-3-2-4-6-10-18/h8-9,12,14H,2-7,10-11,13,18H2,1H3.
What are the key properties of methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate?
methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate has a molecular weight of 337.42 g/mol, XLogP of 1.28, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[8-aminooctyl(formyl)amino]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 176559725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).