2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide

C14H22N4O3 — CID 56720919

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
SMILESCC1CCCN(CCNC(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C14H22N4O3/c1-11-3-2-7-17(9-11)8-6-15-13(20)10-18-14(21)5-4-12(19)16-18/h4-5,11H,2-3,6-10H2,1H3,(H,15,20)(H,16,19)
InChIKeyLRRMQIUGVQEGDH-UHFFFAOYSA-N
MW294.35 g/mol
LogP-0.62
Rot. Bonds5

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 56720919) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID56720919
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
SMILESCC1CCCN(CCNC(=O)Cn2[nH]c(=O)ccc2=O)C1
InChIInChI=1S/C14H22N4O3/c1-11-3-2-7-17(9-11)8-6-15-13(20)10-18-14(21)5-4-12(19)16-18/h4-5,11H,2-3,6-10H2,1H3,(H,15,20)(H,16,19)
InChIKeyLRRMQIUGVQEGDH-UHFFFAOYSA-N
XLogP-0.62
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]acetamide
CID 56702846
2-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 45819178
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 45827427
N-(cyclopentylmethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53498278
N-[[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 53499042
N-[[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 53500255
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 53507063
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 53517567
1-[2-(3,9-Diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-1,2-dihydro-3,6-pyridazinedione hydrochloride
CID 56876225
1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 60634733
2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione
CID 60634761
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-4-carbohydrazide
CID 63573551

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide (CID 56720919) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide is CC1CCCN(CCNC(=O)Cn2[nH]c(=O)ccc2=O)C1.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is LRRMQIUGVQEGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-11-3-2-7-17(9-11)8-6-15-13(20)10-18-14(21)5-4-12(19)16-18/h4-5,11H,2-3,6-10H2,1H3,(H,15,20)(H,16,19).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 56720919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).