methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate

C16H20N2O5 — CID 143766436

IUPACmethyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ccc(NC(=O)C(C)=O)cn2)CC1
InChIInChI=1S/C16H20N2O5/c1-10(19)15(20)18-12-5-8-14(17-9-12)23-13-6-3-11(4-7-13)16(21)22-2/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H,18,20)
InChIKeyDOYXHFCNIGOKLJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.72
Rot. Bonds5

About methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate

methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate (PubChem CID 143766436) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate
PubChem CID143766436
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Namemethyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ccc(NC(=O)C(C)=O)cn2)CC1
InChIInChI=1S/C16H20N2O5/c1-10(19)15(20)18-12-5-8-14(17-9-12)23-13-6-3-11(4-7-13)16(21)22-2/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H,18,20)
InChIKeyDOYXHFCNIGOKLJ-UHFFFAOYSA-N
XLogP1.72
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclopentane-1-carboxylate
CID 67087499
tert-butyl 4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 67087770
methyl 4-[[5-[[5-(4-methoxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 71031019
methyl 2-[4-[[5-[(2-hydrazinyl-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclohexyl]acetate
CID 67087473
methyl 4-[[5-[[5-(4-chloro-2-methoxyanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 67087595
methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate
CID 58230935
2-phenylethyl 3-[[5-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]oxy]cyclobutane-1-carboxylate
CID 58230947
4-[[5-[[5-(4-tert-butylanilino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 58230961
ethyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-2-pyridinyl]oxy]-1-methylcyclohexane-1-carboxylate
CID 58230994
methyl 4-[[5-[(3-amino-2-oxopropanoyl)amino]-3-methoxy-2-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 58231026
methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
CID 67421433
3-acetyl-N-(6-cyclopentyloxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 139021917

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate (CID 143766436) is methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate is COC(=O)C1CCC(Oc2ccc(NC(=O)C(C)=O)cn2)CC1.
What is the InChIKey of methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
The InChIKey is DOYXHFCNIGOKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-10(19)15(20)18-12-5-8-14(17-9-12)23-13-6-3-11(4-7-13)16(21)22-2/h5,8-9,11,13H,3-4,6-7H2,1-2H3,(H,18,20).
What are the key properties of methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate?
methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(2-oxopropanoylamino)-2-pyridinyl]oxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 143766436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).