6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C19H23N3O4 — CID 55572205

IUPAC6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CCCO1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C19H23N3O4/c23-18-9-8-17(19(24)20-11-10-16-7-4-13-25-16)21-22(18)12-14-26-15-5-2-1-3-6-15/h1-3,5-6,8-9,16H,4,7,10-14H2,(H,20,24)
InChIKeyIDCUDDROBHWXKH-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.62
Rot. Bonds8

About 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide

6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 55572205) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID55572205
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CCCO1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C19H23N3O4/c23-18-9-8-17(19(24)20-11-10-16-7-4-13-25-16)21-22(18)12-14-26-15-5-2-1-3-6-15/h1-3,5-6,8-9,16H,4,7,10-14H2,(H,20,24)
InChIKeyIDCUDDROBHWXKH-UHFFFAOYSA-N
XLogP1.62
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
CID 75871156
6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 32983278
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55429921
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46528871
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
N-tert-butyl-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 167941403

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 55572205) is 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide is O=C(NCCC1CCCO1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is IDCUDDROBHWXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-18-9-8-17(19(24)20-11-10-16-7-4-13-25-16)21-22(18)12-14-26-15-5-2-1-3-6-15/h1-3,5-6,8-9,16H,4,7,10-14H2,(H,20,24).
What are the key properties of 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(oxolan-2-yl)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55572205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).