(2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide

C15H23N5O4 — CID 56746825

IUPAC(2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C15H23N5O4/c1-3-18(4-2)15(24)11-7-10(16)8-19(11)14(23)9-20-13(22)6-5-12(21)17-20/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyJGQTYJUSFLGXGL-MNOVXSKESA-N
MW337.38 g/mol
LogP-1.67
Rot. Bonds5

About (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56746825) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56746825
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Name(2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C15H23N5O4/c1-3-18(4-2)15(24)11-7-10(16)8-19(11)14(23)9-20-13(22)6-5-12(21)17-20/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyJGQTYJUSFLGXGL-MNOVXSKESA-N
XLogP-1.67
TPSA121.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide
CID 23557815
N-(1,5-dihydrazinyl-1,5-dioxopentan-2-yl)-2-(2,5-dioxopyrrol-1-yl)acetamide
CID 23557834
1-(1-Prop-2-enoylpyrazolidine-3-carbonyl)pyrrolidine-2-carboxamide
CID 123595429
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[2-(3,6-dioxo-1H-pyridazin-2-yl)pentanoylamino]ethyl]pentanamide
CID 4254899
(2S,4S)-4-amino-1-[(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide
CID 56703111
(2S,4S)-4-amino-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 56707528
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide
CID 63554067

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide (CID 56746825) is (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is JGQTYJUSFLGXGL-MNOVXSKESA-N. The full InChI is InChI=1S/C15H23N5O4/c1-3-18(4-2)15(24)11-7-10(16)8-19(11)14(23)9-20-13(22)6-5-12(21)17-20/h5-6,10-11H,3-4,7-9,16H2,1-2H3,(H,17,21)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of -1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56746825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).