ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate

C11H15N3O3 — CID 137179917

IUPACethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate
SMILES[H]/N=C(\CC)c1c(C(=O)OCC)cc(=O)[nH]c1N
InChIInChI=1S/C11H15N3O3/c1-3-7(12)9-6(11(16)17-4-2)5-8(15)14-10(9)13/h5,12H,3-4H2,1-2H3,(H3,13,14,15)/b12-7+
InChIKeyMGYACMUYJOLNJO-KPKJPENVSA-N
MW237.26 g/mol
LogP0.91
Rot. Bonds4

About ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate

ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate (PubChem CID 137179917) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate
PubChem CID137179917
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate
SMILES[H]/N=C(\CC)c1c(C(=O)OCC)cc(=O)[nH]c1N
InChIInChI=1S/C11H15N3O3/c1-3-7(12)9-6(11(16)17-4-2)5-8(15)14-10(9)13/h5,12H,3-4H2,1-2H3,(H3,13,14,15)/b12-7+
InChIKeyMGYACMUYJOLNJO-KPKJPENVSA-N
XLogP0.91
TPSA109.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-amino-2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 71434385
ethyl 2-oxo-1H-1,8-naphthyridine-4-carboxylate
CID 76849396
ethyl 4-amino-2-ethoxy-6-oxo-1H-pyridine-3-carboxylate
CID 13086384
2-amino-6-(2,6-difluorophenyl)-5-hydroxy-3-propanimidoyl-1H-pyridin-4-one
CID 163599067
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 4-methyl-6-oxo-2-sulfanyl-1H-pyridine-3-carboxylate
CID 2385893
ethyl 8-chloro-2-oxo-1H-quinoline-4-carboxylate
CID 4772724
ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133093404
methyl 2-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 54707980
ethyl 2-chloro-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 54731423
ethyl 2-bromo-6-oxo-1H-pyridine-4-carboxylate
CID 131188084

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate?
The IUPAC name of ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate (CID 137179917) is ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate is [H]/N=C(\CC)c1c(C(=O)OCC)cc(=O)[nH]c1N.
What is the InChIKey of ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate?
The InChIKey is MGYACMUYJOLNJO-KPKJPENVSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-7(12)9-6(11(16)17-4-2)5-8(15)14-10(9)13/h5,12H,3-4H2,1-2H3,(H3,13,14,15)/b12-7+.
What are the key properties of ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate?
ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-oxo-3-propanimidoyl-1H-pyridine-4-carboxylate is sourced from PubChem (CID 137179917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).