methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate

C14H18N2O4 — CID 31703991

IUPACmethyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nc1
InChIInChI=1S/C14H18N2O4/c1-9-7-16(8-10(2)20-9)13(17)12-5-4-11(6-15-12)14(18)19-3/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyJKDDMQYFEDGFCQ-UWVGGRQHSA-N
MW278.31 g/mol
LogP1.12
Rot. Bonds2

About methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate

methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate (PubChem CID 31703991) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
PubChem CID31703991
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nc1
InChIInChI=1S/C14H18N2O4/c1-9-7-16(8-10(2)20-9)13(17)12-5-4-11(6-15-12)14(18)19-3/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyJKDDMQYFEDGFCQ-UWVGGRQHSA-N
XLogP1.12
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate
CID 163307577
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
CID 102934025
methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
CID 177042378
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27661534
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carbothioamide
CID 102932878
4-O-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239698
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 76978653
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate (CID 31703991) is methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nc1.
What is the InChIKey of methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate?
The InChIKey is JKDDMQYFEDGFCQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-7-16(8-10(2)20-9)13(17)12-5-4-11(6-15-12)14(18)19-3/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate?
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 31703991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).