ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate

C15H21N3O4 — CID 2947802

IUPACethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N2CCOCC2)c(C)nc1C
InChIInChI=1S/C15H21N3O4/c1-4-22-14(19)12-9-13(11(3)16-10(12)2)17-15(20)18-5-7-21-8-6-18/h9H,4-8H2,1-3H3,(H,17,20)
InChIKeyRQZBKQPPAFACII-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate

ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate (PubChem CID 2947802) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate
PubChem CID2947802
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nameethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N2CCOCC2)c(C)nc1C
InChIInChI=1S/C15H21N3O4/c1-4-22-14(19)12-9-13(11(3)16-10(12)2)17-15(20)18-5-7-21-8-6-18/h9H,4-8H2,1-3H3,(H,17,20)
InChIKeyRQZBKQPPAFACII-UHFFFAOYSA-N
XLogP1.74
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
Ethyl 5-(3,3-diisopropylureido)-2,6-dimethylnicotinate
CID 2948213
Ethyl 5-(3-(4-bromophenyl)ureido)-2,6-dimethylnicotinate
CID 2139911
ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 2377074
Ethyl 5-({[(2-methoxyphenyl)amino]carbonyl}amino)-2,6-dimethylnicotinate
CID 2948721
Ethyl 5-{[cyclohexyl(methyl)carbamoyl]amino}-2,6-dimethylpyridine-3-carboxylate
CID 9459724
Ethyl 5-(methoxycarbonylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746249
Ethyl 5-(diethylcarbamoylamino)-2,6-dimethylpyridine-3-carboxylate
CID 746246
Ethyl 5-((ethoxycarbonyl)amino)-2,6-dimethylnicotinate
CID 746257
Ethyl 2,6-dimethyl-5-(pyridin-2-ylcarbamoylamino)pyridine-3-carboxylate
CID 975530
2-[(5-Ethoxycarbonyl-2,6-dimethyl-3-pyridinyl)carbamoylsulfanyl]acetic acid
CID 2377077
Ethyl 5-[[cyclohexyl(ethyl)carbamoyl]amino]-2,6-dimethylpyridine-3-carboxylate
CID 2471449

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate (CID 2947802) is ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)N2CCOCC2)c(C)nc1C.
What is the InChIKey of ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate?
The InChIKey is RQZBKQPPAFACII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-4-22-14(19)12-9-13(11(3)16-10(12)2)17-15(20)18-5-7-21-8-6-18/h9H,4-8H2,1-3H3,(H,17,20).
What are the key properties of ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate?
ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-5-(morpholine-4-carbonylamino)pyridine-3-carboxylate is sourced from PubChem (CID 2947802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).