2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide

C16H26N4O2 — CID 70713223

IUPAC2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide
SMILESCCC(C)(C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-5-16(2,3)15(22)17-9-12-6-7-20(11-12)13-8-14(21)19(4)18-10-13/h8,10,12H,5-7,9,11H2,1-4H3,(H,17,22)
InChIKeyMJNKBAISVJKFEM-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.16
Rot. Bonds5

About 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide

2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide (PubChem CID 70713223) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide
PubChem CID70713223
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide
SMILESCCC(C)(C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C16H26N4O2/c1-5-16(2,3)15(22)17-9-12-6-7-20(11-12)13-8-14(21)19(4)18-10-13/h8,10,12H,5-7,9,11H2,1-4H3,(H,17,22)
InChIKeyMJNKBAISVJKFEM-UHFFFAOYSA-N
XLogP1.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-pyrrolidinyl)propanamide
CID 70721532
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
1,6-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 70734562
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-piperidinyl)propanamide
CID 70739487
N-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
1-(6-Oxo-1,6-dihydropyridazin-4-YL)-N-(pentan-3-YL)pyrrolidine-3-carboxamide
CID 91909551
"N-{1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-4-piperidyl}-2,2-dimethylbutanamide"
CID 91911844
1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]-N-(3-ethoxypropyl)pyrrolidine-3-carboxamide
CID 91920242
1-[1-(cyclopropylmethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-N-[2-(1-pyrrolidinyl)ethyl]-3-pyrrolidinecarboxamide
CID 91920243

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide (CID 70713223) is 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide is CCC(C)(C)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
The InChIKey is MJNKBAISVJKFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-16(2,3)15(22)17-9-12-6-7-20(11-12)13-8-14(21)19(4)18-10-13/h8,10,12H,5-7,9,11H2,1-4H3,(H,17,22).
What are the key properties of 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide has a molecular weight of 306.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide is sourced from PubChem (CID 70713223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).