6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C17H21N3O3 — CID 35222787

IUPAC6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c1-12(15-8-5-11-23-15)18-17(22)14-9-10-16(21)20(19-14)13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,18,22)/t12-,15-/m0/s1
InChIKeyFHMRMHRVIFBDIS-WFASDCNBSA-N
MW315.37 g/mol
LogP1.85
Rot. Bonds4

About 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide

6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 35222787) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID35222787
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESC[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c1-12(15-8-5-11-23-15)18-17(22)14-9-10-16(21)20(19-14)13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,18,22)/t12-,15-/m0/s1
InChIKeyFHMRMHRVIFBDIS-WFASDCNBSA-N
XLogP1.85
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-6-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 35227922
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 23474466
6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18077182
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595
6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide
CID 35240540
N-[(1R)-1-(1,2,4-oxadiazol-3-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 124616260
6-oxo-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43430538
N-[(1R)-1-(4-cyanophenyl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 33345580
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
2-anilino-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 42955770

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 35222787) is 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide is C[C@H](NC(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@@H]1CCCO1.
What is the InChIKey of 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FHMRMHRVIFBDIS-WFASDCNBSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(15-8-5-11-23-15)18-17(22)14-9-10-16(21)20(19-14)13-6-3-2-4-7-13/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,18,22)/t12-,15-/m0/s1.
What are the key properties of 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 35222787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).