N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide

C14H21N5O3 — CID 118072283

IUPACN-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide
SMILESCC1C(O)N(c2ccc(C(=O)NC(C)(C)C)nn2)C(=O)N1C
InChIInChI=1S/C14H21N5O3/c1-8-12(21)19(13(22)18(8)5)10-7-6-9(16-17-10)11(20)15-14(2,3)4/h6-8,12,21H,1-5H3,(H,15,20)
InChIKeyLWPMLGSRQIMQPL-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.58
Rot. Bonds2

About N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide

N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide (PubChem CID 118072283) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide
PubChem CID118072283
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC NameN-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide
SMILESCC1C(O)N(c2ccc(C(=O)NC(C)(C)C)nn2)C(=O)N1C
InChIInChI=1S/C14H21N5O3/c1-8-12(21)19(13(22)18(8)5)10-7-6-9(16-17-10)11(20)15-14(2,3)4/h6-8,12,21H,1-5H3,(H,15,20)
InChIKeyLWPMLGSRQIMQPL-UHFFFAOYSA-N
XLogP0.58
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-6-(5-hydroxy-3-methoxy-4-methyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide
CID 122543002
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
N-tert-butyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124840
N-tert-butyl-6-(methylamino)pyridazine-3-carboxamide
CID 62173045
N-tert-butyl-6-phenylpyridazine-3-carboxamide
CID 113200586
N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide
CID 109124857
N-tert-butyl-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109124849
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
N-tert-butyl-6-(N-ethyl-3-methylanilino)pyridazine-3-carboxamide
CID 109124947
N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109124934

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide (CID 118072283) is N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide is CC1C(O)N(c2ccc(C(=O)NC(C)(C)C)nn2)C(=O)N1C.
What is the InChIKey of N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide?
The InChIKey is LWPMLGSRQIMQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-8-12(21)19(13(22)18(8)5)10-7-6-9(16-17-10)11(20)15-14(2,3)4/h6-8,12,21H,1-5H3,(H,15,20).
What are the key properties of N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide?
N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(5-hydroxy-3,4-dimethyl-2-oxoimidazolidin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 118072283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).