N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H22N4O3 — CID 45217208

IUPACN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(=O)N(CC(C)(C)C)C2)ccc1=O
InChIInChI=1S/C15H22N4O3/c1-15(2,3)9-19-8-10(7-13(19)21)16-14(22)11-5-6-12(20)18(4)17-11/h5-6,10H,7-9H2,1-4H3,(H,16,22)
InChIKeyQQAAWNCJJBEMOP-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.16
Rot. Bonds3

About N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 45217208) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID45217208
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CC(=O)N(CC(C)(C)C)C2)ccc1=O
InChIInChI=1S/C15H22N4O3/c1-15(2,3)9-19-8-10(7-13(19)21)16-14(22)11-5-6-12(20)18(4)17-11/h5-6,10H,7-9H2,1-4H3,(H,16,22)
InChIKeyQQAAWNCJJBEMOP-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 131912086
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 25485689
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461445
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461444
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56906658
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 56895748
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-phenylsulfanylacetamide
CID 42525734
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 124761333
N-[(4aR,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 124761332
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 45229156

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 45217208) is N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2CC(=O)N(CC(C)(C)C)C2)ccc1=O.
What is the InChIKey of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QQAAWNCJJBEMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-15(2,3)9-19-8-10(7-13(19)21)16-14(22)11-5-6-12(20)18(4)17-11/h5-6,10H,7-9H2,1-4H3,(H,16,22).
What are the key properties of N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 45217208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).