pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C12H18N2O3 — CID 62814988

IUPACpentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCCCCCOC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-2-3-4-7-17-12(16)9-14-8-10(13)5-6-11(14)15/h5-6,8H,2-4,7,9,13H2,1H3
InChIKeyBMIXOUKTJINGQL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.16
Rot. Bonds6

About pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62814988) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namepentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62814988
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namepentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCCCCCOC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-2-3-4-7-17-12(16)9-14-8-10(13)5-6-11(14)15/h5-6,8H,2-4,7,9,13H2,1H3
InChIKeyBMIXOUKTJINGQL-UHFFFAOYSA-N
XLogP1.16
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.16
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

2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 114531068
5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one
CID 43260157
(3,4-dimethylphenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62815511
nonyl 2-(4-aminopyrazol-1-yl)acetate
CID 61315598
methyl 2-[[2-(5-amino-2-oxo-1-pyridinyl)acetyl]-methylamino]acetate
CID 55210676
pentyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
CID 3114107
octyl 2-(3-aminopyrazol-1-yl)acetate
CID 62113086
(2-chloro-4-fluorophenyl)methyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814289
2-bicyclo[2.2.1]heptanylmethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 79561821
pentadecyl 2-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]acetate
CID 40735384
octyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
CID 3119407
2-(5-amino-2-oxo-1-pyridinyl)-N-ethyl-N-phenylacetamide
CID 62816852

Frequently Asked Questions

What is the IUPAC name of pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62814988) is pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is CCCCCOC(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is BMIXOUKTJINGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-3-4-7-17-12(16)9-14-8-10(13)5-6-11(14)15/h5-6,8H,2-4,7,9,13H2,1H3.
What are the key properties of pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 238.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62814988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).