ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate

C14H13N3O3 — CID 54210099

IUPACethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate
SMILESC#CCn1c(=O)c(C(=O)OCC)c(N)c2cccnc21
InChIInChI=1S/C14H13N3O3/c1-3-8-17-12-9(6-5-7-16-12)11(15)10(13(17)18)14(19)20-4-2/h1,5-7H,4,8,15H2,2H3
InChIKeyPVIUUGUDHDOIGM-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.79
Rot. Bonds3

About ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate

ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate (PubChem CID 54210099) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate
PubChem CID54210099
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Nameethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate
SMILESC#CCn1c(=O)c(C(=O)OCC)c(N)c2cccnc21
InChIInChI=1S/C14H13N3O3/c1-3-8-17-12-9(6-5-7-16-12)11(15)10(13(17)18)14(19)20-4-2/h1,5-7H,4,8,15H2,2H3
InChIKeyPVIUUGUDHDOIGM-UHFFFAOYSA-N
XLogP0.79
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate 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

ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696180
ethyl 1-acetyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54710474
4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524655
ethane;ethyl 2-methyl-1-[(4-oxocyclohexyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxylate
CID 142589918
ethyl 2,5-dimethylpyrazolo[1,5-a][1,8]naphthyridine-3-carboxylate
CID 102144493
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
CID 143011204
ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 166666514
ethyl 2-[3-[(2-chlorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetate
CID 6619883
diethyl 1-hydroxypyrrolo[3,2-b]pyridine-2,3-dicarboxylate
CID 19977741
ethyl 1-(3-ethynylphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11659719
ethyl 2-ethynylpyridine-3-carboxylate
CID 54287317
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate (CID 54210099) is ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate is C#CCn1c(=O)c(C(=O)OCC)c(N)c2cccnc21.
What is the InChIKey of ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is PVIUUGUDHDOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-3-8-17-12-9(6-5-7-16-12)11(15)10(13(17)18)14(19)20-4-2/h1,5-7H,4,8,15H2,2H3.
What are the key properties of ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-oxo-1-prop-2-ynyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54210099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).