6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide

C18H21N3O3 — CID 35240540

IUPAC6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](C)[C@H]2CCCO2)nn1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12-11-15(22)17(20-21(12)14-7-4-3-5-8-14)18(23)19-13(2)16-9-6-10-24-16/h3-5,7-8,11,13,16H,6,9-10H2,1-2H3,(H,19,23)/t13-,16-/m1/s1
InChIKeyDGGCWWIYEWIZCG-CZUORRHYSA-N
MW327.38 g/mol
LogP1.84
Rot. Bonds4

About 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide

6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide (PubChem CID 35240540) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide
PubChem CID35240540
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N[C@H](C)[C@H]2CCCO2)nn1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12-11-15(22)17(20-21(12)14-7-4-3-5-8-14)18(23)19-13(2)16-9-6-10-24-16/h3-5,7-8,11,13,16H,6,9-10H2,1-2H3,(H,19,23)/t13-,16-/m1/s1
InChIKeyDGGCWWIYEWIZCG-CZUORRHYSA-N
XLogP1.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 43067379
6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide
CID 51131195
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595
methyl 5-[[(1R)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]-1-phenylpyrazole-3-carboxylate
CID 95142378
6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 35222787
N-cyclohexyl-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51237420
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52843256
N-(1-methoxypropan-2-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46522145
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 18275042
1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide
CID 35265921
3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide
CID 42950890

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide (CID 35240540) is 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N[C@H](C)[C@H]2CCCO2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide?
The InChIKey is DGGCWWIYEWIZCG-CZUORRHYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-11-15(22)17(20-21(12)14-7-4-3-5-8-14)18(23)19-13(2)16-9-6-10-24-16/h3-5,7-8,11,13,16H,6,9-10H2,1-2H3,(H,19,23)/t13-,16-/m1/s1.
What are the key properties of 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide?
6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 35240540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).