2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide

C17H27N3O3 — CID 95614526

IUPAC2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide
SMILESCCCN(C[C@@H]1CCCCO1)C(=O)c1c(C)c(C)nn(C)c1=O
InChIInChI=1S/C17H27N3O3/c1-5-9-20(11-14-8-6-7-10-23-14)17(22)15-12(2)13(3)18-19(4)16(15)21/h14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeySQGXKARGALVUNB-AWEZNQCLSA-N
MW321.42 g/mol
LogP1.82
Rot. Bonds5

About 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide

2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide (PubChem CID 95614526) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide
PubChem CID95614526
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide
SMILESCCCN(C[C@@H]1CCCCO1)C(=O)c1c(C)c(C)nn(C)c1=O
InChIInChI=1S/C17H27N3O3/c1-5-9-20(11-14-8-6-7-10-23-14)17(22)15-12(2)13(3)18-19(4)16(15)21/h14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeySQGXKARGALVUNB-AWEZNQCLSA-N
XLogP1.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-N-propyl-1H-pyridine-4-carboxamide
CID 86285769
2-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
CID 99977630
1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide
CID 95312132
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide
CID 43818819
N-(oxan-2-ylmethyl)-N-propyl-2H-benzotriazole-5-carboxamide
CID 86812984
N-ethyl-2,4,5-trimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 75418090
2-methyl-N-[[(2S)-oxan-2-yl]methyl]-N-propyl-5-sulfamoylfuran-3-carboxamide
CID 129358518
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
CID 119777186
2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 136778281
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
CID 56803297
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide
CID 95211562
3-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209745

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide (CID 95614526) is 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide is CCCN(C[C@@H]1CCCCO1)C(=O)c1c(C)c(C)nn(C)c1=O.
What is the InChIKey of 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide?
The InChIKey is SQGXKARGALVUNB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-9-20(11-14-8-6-7-10-23-14)17(22)15-12(2)13(3)18-19(4)16(15)21/h14H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide?
2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide is sourced from PubChem (CID 95614526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).