N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide

C12H12N4O3 — CID 103747377

IUPACN-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cn1
InChIInChI=1S/C12H12N4O3/c1-2-19-11-6-3-8(7-13-11)14-12(18)9-4-5-10(17)16-15-9/h3-7H,2H2,1H3,(H,14,18)(H,16,17)
InChIKeyAKDJJPWBQMEKDW-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.82
Rot. Bonds4

About N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103747377) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103747377
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cn1
InChIInChI=1S/C12H12N4O3/c1-2-19-11-6-3-8(7-13-11)14-12(18)9-4-5-10(17)16-15-9/h3-7H,2H2,1H3,(H,14,18)(H,16,17)
InChIKeyAKDJJPWBQMEKDW-UHFFFAOYSA-N
XLogP0.82
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 47416715
N-(6-ethoxy-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 115498032
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280
2-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697306
N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 9415955
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 115930617
N-[4-(2-bromoethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040990
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103747377) is N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide is CCOc1ccc(NC(=O)c2ccc(=O)[nH]n2)cn1.
What is the InChIKey of N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is AKDJJPWBQMEKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-2-19-11-6-3-8(7-13-11)14-12(18)9-4-5-10(17)16-15-9/h3-7H,2H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-pyridinyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103747377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).