(2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide

C12H19N5O3 — CID 56707528

IUPAC(2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@@H](N)C[C@H]1C(=O)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N5O3/c1-16-7-8(13)6-9(16)12(20)14-4-5-17-11(19)3-2-10(18)15-17/h2-3,8-9H,4-7,13H2,1H3,(H,14,20)(H,15,18)/t8-,9-/m0/s1
InChIKeyADPBUWIBBMQGTA-IUCAKERBSA-N
MW281.32 g/mol
LogP-2.32
Rot. Bonds4

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

(2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 56707528) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID56707528
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@@H](N)C[C@H]1C(=O)NCCn1[nH]c(=O)ccc1=O
InChIInChI=1S/C12H19N5O3/c1-16-7-8(13)6-9(16)12(20)14-4-5-17-11(19)3-2-10(18)15-17/h2-3,8-9H,4-7,13H2,1H3,(H,14,20)(H,15,18)/t8-,9-/m0/s1
InChIKeyADPBUWIBBMQGTA-IUCAKERBSA-N
XLogP-2.32
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
1-[(E)-4-(methylamino)but-2-enoyl]pyrrolidine-2-carboxamide
CID 145655860
N-[(E)-but-2-enyl]-1,5-dimethylpyrazolidine-3-carboxamide;ethane;molecular hydrogen
CID 178010416
N-[(E)-but-2-enyl]-2,5-dimethylpyrazolidine-3-carboxamide
CID 178011309
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
(4R)-4-amino-1-[(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)acetyl]-N,N-diethyl-L-prolinamide
CID 56746825
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-oxopiperidin-3-yl)acetamide
CID 63554067
1-but-2-enoyl-N-methylpyrrolidine-2-carboxamide
CID 78943698
1-[(E)-but-2-enoyl]-N-methylpyrrolidine-2-carboxamide
CID 133672108

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide (CID 56707528) is (2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide is CN1C[C@@H](N)C[C@H]1C(=O)NCCn1[nH]c(=O)ccc1=O.
What is the InChIKey of (2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is ADPBUWIBBMQGTA-IUCAKERBSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-16-7-8(13)6-9(16)12(20)14-4-5-17-11(19)3-2-10(18)15-17/h2-3,8-9H,4-7,13H2,1H3,(H,14,20)(H,15,18)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56707528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).