N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide

C9H12N4O3 — CID 90509671

IUPACN-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC(N)=O)nn1
InChIInChI=1S/C9H12N4O3/c1-2-16-8-4-3-6(12-13-8)9(15)11-5-7(10)14/h3-4H,2,5H2,1H3,(H2,10,14)(H,11,15)
InChIKeyBJKDQPZEXPSYHV-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.91
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide

N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide (PubChem CID 90509671) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide
PubChem CID90509671
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC(N)=O)nn1
InChIInChI=1S/C9H12N4O3/c1-2-16-8-4-3-6(12-13-8)9(15)11-5-7(10)14/h3-4H,2,5H2,1H3,(H2,10,14)(H,11,15)
InChIKeyBJKDQPZEXPSYHV-UHFFFAOYSA-N
XLogP-0.91
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-6-methoxypyridazine-3-carboxamide
CID 90509437
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-ethoxypyridazine-3-carboxamide
CID 90509701
N-(3,5-dimethylphenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509536
N-ethyl-6-methoxypyridazine-3-carboxamide
CID 90509402
N-(2-amino-2-oxoethyl)-5-methoxypyridine-2-carboxamide
CID 70798134
N-(3,4-difluorophenyl)-6-ethoxypyridazine-3-carboxamide
CID 90509652
6-ethoxy-N-(2-methylsulfanylphenyl)pyridazine-3-carboxamide
CID 90509597
6-ethoxy-N-(2-oxochromen-3-yl)pyridazine-3-carboxamide
CID 90509622
N-[4-(diethylamino)-2-methylphenyl]-6-ethoxypyridazine-3-carboxamide
CID 90509599
6-ethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)pyridazine-3-carboxamide
CID 90509660
2-[(4-ethoxyphenyl)methyl]-3-[(6-methoxypyridazine-3-carbonyl)amino]propanoic acid
CID 119232158
4-amino-N-(2-amino-2-oxoethyl)pyridine-2-carboxamide
CID 62156231

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide (CID 90509671) is N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide is CCOc1ccc(C(=O)NCC(N)=O)nn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide?
The InChIKey is BJKDQPZEXPSYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-2-16-8-4-3-6(12-13-8)9(15)11-5-7(10)14/h3-4H,2,5H2,1H3,(H2,10,14)(H,11,15).
What are the key properties of N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide?
N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-6-ethoxypyridazine-3-carboxamide is sourced from PubChem (CID 90509671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).