2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide

C19H23N3O3 — CID 97250740

IUPAC2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)c1C
InChIInChI=1S/C19H23N3O3/c1-12-13(2)21-22(3)19(24)16(12)18(23)20-17(15-10-7-11-25-15)14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-11H2,1-3H3,(H,20,23)/t15-,17+/m1/s1
InChIKeyKMAIVPMBGGLMFC-WBVHZDCISA-N
MW341.41 g/mol
LogP2.05
Rot. Bonds4

About 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide

2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide (PubChem CID 97250740) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide
PubChem CID97250740
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)c1C
InChIInChI=1S/C19H23N3O3/c1-12-13(2)21-22(3)19(24)16(12)18(23)20-17(15-10-7-11-25-15)14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-11H2,1-3H3,(H,20,23)/t15-,17+/m1/s1
InChIKeyKMAIVPMBGGLMFC-WBVHZDCISA-N
XLogP2.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[oxolan-2-yl(phenyl)methyl]acetamide
CID 119757394
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]urea
CID 125136365
2-(1,3-dioxan-2-yl)-N-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]acetamide
CID 124625518
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324
3-(3-methylimidazol-4-yl)-N-[(R)-[(2R)-oxolan-2-yl]-phenylmethyl]propanamide
CID 124625525
3-methoxy-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]-4-propan-2-yloxybenzamide
CID 52522411
4-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 120561583
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
2-amino-N-[oxolan-2-yl(phenyl)methyl]pentanamide
CID 119308398
4-amino-N-[(R)-[(2S)-oxolan-2-yl]-phenylmethyl]butanamide
CID 129397487

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide (CID 97250740) is 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)N[C@@H](c2ccccc2)[C@H]2CCCO2)c1C.
What is the InChIKey of 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide?
The InChIKey is KMAIVPMBGGLMFC-WBVHZDCISA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-13(2)21-22(3)19(24)16(12)18(23)20-17(15-10-7-11-25-15)14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-11H2,1-3H3,(H,20,23)/t15-,17+/m1/s1.
What are the key properties of 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide?
2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-3-oxo-N-[(S)-[(2R)-oxolan-2-yl]-phenylmethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 97250740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).