methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate

C13H17N3O4 — CID 79770247

IUPACmethyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncccc2C(N)=O)CCO1
InChIInChI=1S/C13H17N3O4/c1-19-11(17)7-9-8-16(5-6-20-9)13-10(12(14)18)3-2-4-15-13/h2-4,9H,5-8H2,1H3,(H2,14,18)
InChIKeyVBVDOTIJHCSISG-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.05
Rot. Bonds4

About methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate

methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate (PubChem CID 79770247) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
PubChem CID79770247
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncccc2C(N)=O)CCO1
InChIInChI=1S/C13H17N3O4/c1-19-11(17)7-9-8-16(5-6-20-9)13-10(12(14)18)3-2-4-15-13/h2-4,9H,5-8H2,1H3,(H2,14,18)
InChIKeyVBVDOTIJHCSISG-UHFFFAOYSA-N
XLogP-0.05
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763
methyl 2-[4-(3-bromo-2-pyridinyl)morpholin-2-yl]acetate
CID 115538633
methyl 2-(4-pyridin-2-ylmorpholin-2-yl)acetate
CID 71977884
2-[2-(3-phenylpropyl)morpholin-4-yl]pyridine-3-carboxamide
CID 45189406
2-(2-ethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43420791
methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
CID 79770872
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 95463386
2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 124750437
methyl 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholin-2-yl]acetate
CID 79771135
2-[3-(aminomethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 62062379
1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
CID 103721776

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate (CID 79770247) is methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2ncccc2C(N)=O)CCO1.
What is the InChIKey of methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate?
The InChIKey is VBVDOTIJHCSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-11(17)7-9-8-16(5-6-20-9)13-10(12(14)18)3-2-4-15-13/h2-4,9H,5-8H2,1H3,(H2,14,18).
What are the key properties of methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate?
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate has a molecular weight of 279.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79770247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).