N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

C14H21N3O3 — CID 124737330

IUPACN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-9-4-3-5-11(10(9)2)15-13(19)8-17-14(20)7-6-12(18)16-17/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,19)(H,16,18)/t9-,10+,11-/m1/s1
InChIKeyPQWPDQWFFSWUMH-OUAUKWLOSA-N
MW279.34 g/mol
LogP0.48
Rot. Bonds3

About N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 124737330) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID124737330
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-9-4-3-5-11(10(9)2)15-13(19)8-17-14(20)7-6-12(18)16-17/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,19)(H,16,18)/t9-,10+,11-/m1/s1
InChIKeyPQWPDQWFFSWUMH-OUAUKWLOSA-N
XLogP0.48
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide with MolForge

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 8008576
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 124729977
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 3244784
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 124719135
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 112815574
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 11932440
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 11932212
N-(2,3-dimethylcyclohexyl)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 45281380
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 100814193
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7284425

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 124737330) is N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is PQWPDQWFFSWUMH-OUAUKWLOSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-4-3-5-11(10(9)2)15-13(19)8-17-14(20)7-6-12(18)16-17/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,19)(H,16,18)/t9-,10+,11-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 124737330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).