6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide

C16H17N3O3 — CID 31883567

IUPAC6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O3/c20-15-9-8-14(16(21)17-11-13-7-4-10-22-13)18-19(15)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,17,21)/t13-/m0/s1
InChIKeyUWXWVHXSBKBVQG-ZDUSSCGKSA-N
MW299.33 g/mol
LogP1.14
Rot. Bonds4

About 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide

6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide (PubChem CID 31883567) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
PubChem CID31883567
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H17N3O3/c20-15-9-8-14(16(21)17-11-13-7-4-10-22-13)18-19(15)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,17,21)/t13-/m0/s1
InChIKeyUWXWVHXSBKBVQG-ZDUSSCGKSA-N
XLogP1.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 23474466
1-(3-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 94676392
4-[(2-methylphenyl)methyl]-3,5-dioxo-N-(oxolan-2-ylmethyl)-2-phenyl-1,2,4-triazine-6-carboxamide
CID 46004429
4-[(2-methylphenyl)methyl]-3,5-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-1,2,4-triazine-6-carboxamide
CID 93159074
5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55794303
N-[[(2S)-oxolan-2-yl]methyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide
CID 9379923
5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 110372655
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide (CID 31883567) is 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide?
The InChIKey is UWXWVHXSBKBVQG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15-9-8-14(16(21)17-11-13-7-4-10-22-13)18-19(15)12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,17,21)/t13-/m0/s1.
What are the key properties of 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide?
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 31883567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).