N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide

C15H22N4O3 — CID 51695241

IUPACN-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C15H22N4O3/c1-15(2,3)16-12(20)10-19-13(21)7-6-11(17-19)14(22)18-8-4-5-9-18/h6-7H,4-5,8-10H2,1-3H3,(H,16,20)
InChIKeyNCAXXJGKEIIAKV-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.39
Rot. Bonds3

About N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide

N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide (PubChem CID 51695241) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide
PubChem CID51695241
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O
InChIInChI=1S/C15H22N4O3/c1-15(2,3)16-12(20)10-19-13(21)7-6-11(17-19)14(22)18-8-4-5-9-18/h6-7H,4-5,8-10H2,1-3H3,(H,16,20)
InChIKeyNCAXXJGKEIIAKV-UHFFFAOYSA-N
XLogP0.39
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443194
2-Butyl-6-(3-oxopiperazine-1-carbonyl)pyridazin-3-one
CID 31095761
2-[2-Oxo-2-(pyrrolidin-1-YL)ethyl]-6-(pyrrolidine-1-carbonyl)-2,3-dihydropyridazin-3-one
CID 51695245
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 71789177
1-[2-(Ethylamino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 166850861
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propylpyridazine-3-carboxamide
CID 29589927
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 29860247
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 29873681
1-methyl-N-[2-(2-methylpropanoylamino)ethyl]-6-oxopyridazine-3-carboxamide
CID 30472046
N-tert-butyl-2-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]acetamide
CID 30535799
6-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-pyridazine-3-carboxamide
CID 30536779
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 30696290

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide (CID 51695241) is N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide is CC(C)(C)NC(=O)Cn1nc(C(=O)N2CCCC2)ccc1=O.
What is the InChIKey of N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide?
The InChIKey is NCAXXJGKEIIAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-15(2,3)16-12(20)10-19-13(21)7-6-11(17-19)14(22)18-8-4-5-9-18/h6-7H,4-5,8-10H2,1-3H3,(H,16,20).
What are the key properties of N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide?
N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 51695241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).