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

C16H26N4O2 — CID 96365936

IUPAC2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide
SMILESCCC(C)(C)C(=O)NC[C@@H]1CCN(C1)C2=CC(=O)N(N=C2)C
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)/t12-/m0/s1
InChIKeyMJNKBAISVJKFEM-LBPRGKRZSA-N
MW306.40 g/mol
LogP1.30
Rot. Bonds5

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

2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide (PubChem CID 96365936) has the molecular formula C16H26N4O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide
PubChem CID96365936
Molecular FormulaC16H26N4O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Name2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide
SMILESCCC(C)(C)C(=O)NC[C@@H]1CCN(C1)C2=CC(=O)N(N=C2)C
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)/t12-/m0/s1
InChIKeyMJNKBAISVJKFEM-LBPRGKRZSA-N
XLogP1.30
TPSA65.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity510

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide (CID 96365936) is 2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide is CCC(C)(C)C(=O)NC[C@@H]1CCN(C1)C2=CC(=O)N(N=C2)C.
What is the InChIKey of 2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
The InChIKey is MJNKBAISVJKFEM-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide?
2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide has a molecular weight of 306.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]butanamide is sourced from PubChem (CID 96365936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).