6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide

C16H17N3O4 — CID 60521562

IUPAC6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H17N3O4/c20-15-8-7-14(18-19-15)16(21)17-11-3-5-12(6-4-11)23-10-13-2-1-9-22-13/h3-8,13H,1-2,9-10H2,(H,17,21)(H,19,20)
InChIKeyGETHPPWUFWOWMO-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.58
Rot. Bonds5

About 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide (PubChem CID 60521562) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide
PubChem CID60521562
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(OCC2CCCO2)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H17N3O4/c20-15-8-7-14(18-19-15)16(21)17-11-3-5-12(6-4-11)23-10-13-2-1-9-22-13/h3-8,13H,1-2,9-10H2,(H,17,21)(H,19,20)
InChIKeyGETHPPWUFWOWMO-UHFFFAOYSA-N
XLogP1.58
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119712742
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide (CID 60521562) is 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide is O=C(Nc1ccc(OCC2CCCO2)cc1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide?
The InChIKey is GETHPPWUFWOWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15-8-7-14(18-19-15)16(21)17-11-3-5-12(6-4-11)23-10-13-2-1-9-22-13/h3-8,13H,1-2,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60521562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).