[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate

C15H21N3O4 — CID 55734800

IUPAC[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H21N3O4/c1-10-5-3-4-6-11(10)16-13(19)9-22-15(21)12-7-8-14(20)18(2)17-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyLSGQKIFSMRLCRN-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.63
Rot. Bonds4

About [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate (PubChem CID 55734800) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
PubChem CID55734800
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
SMILESCC1CCCCC1NC(=O)COC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H21N3O4/c1-10-5-3-4-6-11(10)16-13(19)9-22-15(21)12-7-8-14(20)18(2)17-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,19)
InChIKeyLSGQKIFSMRLCRN-UHFFFAOYSA-N
XLogP0.63
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 29244219
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2693229
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
[2-(cyclopentylamino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080249
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776590
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 2627211
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 2680435
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204172
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204169
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 5149215
[2-(cyclopentylamino)-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18080240
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736619

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate?
The IUPAC name of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate (CID 55734800) is [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate?
The canonical SMILES for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate is CC1CCCCC1NC(=O)COC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate?
The InChIKey is LSGQKIFSMRLCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-5-3-4-6-11(10)16-13(19)9-22-15(21)12-7-8-14(20)18(2)17-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,19).
What are the key properties of [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate?
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 55734800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).