2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide

C17H22N4O2 — CID 97250763

IUPAC2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide
SMILESCCC[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)c1ccccn1
InChIInChI=1S/C17H22N4O2/c1-5-8-14(13-9-6-7-10-18-13)19-16(22)15-11(2)12(3)20-21(4)17(15)23/h6-7,9-10,14H,5,8H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyPUVLCLZOUGFERS-AWEZNQCLSA-N
MW314.39 g/mol
LogP2.06
Rot. Bonds5

About 2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide

2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide (PubChem CID 97250763) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide
PubChem CID97250763
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide
SMILESCCC[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)c1ccccn1
InChIInChI=1S/C17H22N4O2/c1-5-8-14(13-9-6-7-10-18-13)19-16(22)15-11(2)12(3)20-21(4)17(15)23/h6-7,9-10,14H,5,8H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyPUVLCLZOUGFERS-AWEZNQCLSA-N
XLogP2.06
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5,6-trimethyl-3-oxo-N-(1-pyridin-2-ylbutyl)pyridazine-4-carboxamide
CID 75395232
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
2,5,6-trimethyl-3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-4-carboxamide
CID 103874313
4-[2-(dimethylamino)-2-oxoethyl]-N-(1-pyridin-2-ylbutyl)benzamide
CID 166292590
(2R)-3-hydroxy-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 80749718
N-(1-pyridin-2-ylbutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69375151
2,5,6-trimethyl-N-[(2R)-1-(5-methylthiophen-2-yl)propan-2-yl]-3-oxopyridazine-4-carboxamide
CID 95632509
1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 124872713
1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-3-(1-pyridin-2-ylbutyl)urea
CID 84587077
methyl 3-methyl-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]butanoate
CID 43623156
(2R)-2-(1-pyridin-2-ylbutylamino)propan-1-ol
CID 103878434

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide?
The IUPAC name of 2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide (CID 97250763) is 2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide.
What is the SMILES notation for 2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide?
The canonical SMILES for 2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide is CCC[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)c1ccccn1.
What is the InChIKey of 2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide?
The InChIKey is PUVLCLZOUGFERS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-8-14(13-9-6-7-10-18-13)19-16(22)15-11(2)12(3)20-21(4)17(15)23/h6-7,9-10,14H,5,8H2,1-4H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide?
2,5,6-trimethyl-3-oxo-N-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.06, 5 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-[(1S)-1-pyridin-2-ylbutyl]pyridazine-4-carboxamide is sourced from PubChem (CID 97250763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).