N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

C14H16N4O3 — CID 59853619

IUPACN-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
SMILESCCOCCNC(=O)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C14H16N4O3/c1-2-21-8-7-16-13(19)11-9-12(17-18-14(11)20)10-3-5-15-6-4-10/h3-6,9H,2,7-8H2,1H3,(H,16,19)(H,18,20)
InChIKeyDSCSFCSWDJKWQB-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.60
Rot. Bonds6

About N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide (PubChem CID 59853619) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
PubChem CID59853619
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
SMILESCCOCCNC(=O)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C14H16N4O3/c1-2-21-8-7-16-13(19)11-9-12(17-18-14(11)20)10-3-5-15-6-4-10/h3-6,9H,2,7-8H2,1H3,(H,16,19)(H,18,20)
InChIKeyDSCSFCSWDJKWQB-UHFFFAOYSA-N
XLogP0.60
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59017950
N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
N-(2-methoxyethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 129352938
6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide
CID 59017983
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107023284
N-propan-2-yl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53014349
4-[5-(1-ethoxyethenyl)-1H-pyrazol-3-yl]pyridine
CID 89173905
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63615728
(1-carbamoylcyclopropyl) 6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxylate
CID 91474839
6-oxo-3-(4-oxo-1H-pyridin-3-yl)-N-(pyridin-4-ylmethyl)-1H-pyridazine-5-carboxamide
CID 135401020

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide (CID 59853619) is N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide is CCOCCNC(=O)c1cc(-c2ccncc2)n[nH]c1=O.
What is the InChIKey of N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The InChIKey is DSCSFCSWDJKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-21-8-7-16-13(19)11-9-12(17-18-14(11)20)10-3-5-15-6-4-10/h3-6,9H,2,7-8H2,1H3,(H,16,19)(H,18,20).
What are the key properties of N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 59853619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).