6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C16H19N3O3 — CID 23474466

IUPAC6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H19N3O3/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/h1-3,5-6,13H,4,7-11H2,(H,17,21)
InChIKeyVVKYDOHLAUEHTH-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.46
Rot. Bonds4

About 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide

6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 23474466) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID23474466
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H19N3O3/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/h1-3,5-6,13H,4,7-11H2,(H,17,21)
InChIKeyVVKYDOHLAUEHTH-UHFFFAOYSA-N
XLogP1.46
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 35222787
N-(1,3-benzothiazol-2-yl)-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 41071615
6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyridazine-3-carboxamide
CID 31883567
N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-chloro-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43064051
N-[[(2R)-oxolan-2-yl]methyl]-1-phenylimidazole-4-carboxamide
CID 100816447
N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18083745
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
N-[[(2R)-oxan-2-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 99993161
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazine-3-carboxamide
CID 42477134
6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18077182
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 23474466) is 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(NCC1CCCO1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VVKYDOHLAUEHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/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/h1-3,5-6,13H,4,7-11H2,(H,17,21).
What are the key properties of 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 23474466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).