N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C17H27N3O3 — CID 96528939

IUPACN-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCO[C@H]1C[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C1(CC)CC
InChIInChI=1S/C17H27N3O3/c1-6-17(7-2)12(9-13(17)23-8-3)18-15(21)14-10(4)11(5)19-20-16(14)22/h12-13H,6-9H2,1-5H3,(H,18,21)(H,20,22)/t12-,13+/m1/s1
InChIKeyKPXKHOVAQXVLPL-OLZOCXBDSA-N
MW321.42 g/mol
LogP2.10
Rot. Bonds6

About N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 96528939) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID96528939
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCO[C@H]1C[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C1(CC)CC
InChIInChI=1S/C17H27N3O3/c1-6-17(7-2)12(9-13(17)23-8-3)18-15(21)14-10(4)11(5)19-20-16(14)22/h12-13H,6-9H2,1-5H3,(H,18,21)(H,20,22)/t12-,13+/m1/s1
InChIKeyKPXKHOVAQXVLPL-OLZOCXBDSA-N
XLogP2.10
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 96528939) is N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is CCO[C@H]1C[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C1(CC)CC.
What is the InChIKey of N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is KPXKHOVAQXVLPL-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-6-17(7-2)12(9-13(17)23-8-3)18-15(21)14-10(4)11(5)19-20-16(14)22/h12-13H,6-9H2,1-5H3,(H,18,21)(H,20,22)/t12-,13+/m1/s1.
What are the key properties of N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 96528939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).