2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide

C14H21N5O3 — CID 110134599

IUPAC2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)n1
InChIInChI=1S/C14H21N5O3/c1-9-2-5-13(21)18(17-9)8-14(22)19-10(6-12(16)20)3-4-11(19)7-15/h2,5,10-11H,3-4,6-8,15H2,1H3,(H2,16,20)/t10-,11+/m1/s1
InChIKeyWBSLOTIQYTXUEC-MNOVXSKESA-N
MW307.35 g/mol
LogP-1.25
Rot. Bonds5

About 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide

2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide (PubChem CID 110134599) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide
PubChem CID110134599
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide
SMILESCc1ccc(=O)n(CC(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)n1
InChIInChI=1S/C14H21N5O3/c1-9-2-5-13(21)18(17-9)8-14(22)19-10(6-12(16)20)3-4-11(19)7-15/h2,5,10-11H,3-4,6-8,15H2,1H3,(H2,16,20)/t10-,11+/m1/s1
InChIKeyWBSLOTIQYTXUEC-MNOVXSKESA-N
XLogP-1.25
TPSA124.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide with MolForge

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Related Compounds

ethyl 2-[1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperidin-2-yl]acetate
CID 70731385
2-[(2R,5S)-5-(aminomethyl)-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetamide
CID 110134586
6-methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
CID 78949436
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 111101960
2-[(2R,5S)-5-(aminomethyl)-1-(1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]acetamide
CID 110134619
2-[2-[(1S,2S,4R)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 164699092
2-[2-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 166612878
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 95777903
6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95762482
6-methyl-2-[2-oxo-2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 125008421
2-[2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 75369552
6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 110103740

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide?
The IUPAC name of 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide (CID 110134599) is 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide is Cc1ccc(=O)n(CC(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)n1.
What is the InChIKey of 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide?
The InChIKey is WBSLOTIQYTXUEC-MNOVXSKESA-N. The full InChI is InChI=1S/C14H21N5O3/c1-9-2-5-13(21)18(17-9)8-14(22)19-10(6-12(16)20)3-4-11(19)7-15/h2,5,10-11H,3-4,6-8,15H2,1H3,(H2,16,20)/t10-,11+/m1/s1.
What are the key properties of 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide?
2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide has a molecular weight of 307.35 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-(aminomethyl)-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 110134599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).