methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate

C13H19N3O4 — CID 115538155

IUPACmethyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1ncccc1C(N)=O
InChIInChI=1S/C13H19N3O4/c1-19-9-8-16(7-5-11(17)20-2)13-10(12(14)18)4-3-6-15-13/h3-4,6H,5,7-9H2,1-2H3,(H2,14,18)
InChIKeyLFFVQMTYMQIKPZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.20
Rot. Bonds8

About methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 115538155) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
PubChem CID115538155
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1ncccc1C(N)=O
InChIInChI=1S/C13H19N3O4/c1-19-9-8-16(7-5-11(17)20-2)13-10(12(14)18)4-3-6-15-13/h3-4,6H,5,7-9H2,1-2H3,(H2,14,18)
InChIKeyLFFVQMTYMQIKPZ-UHFFFAOYSA-N
XLogP0.20
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 113331207
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532
methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
CID 62005155
methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate
CID 113330474
2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 54985985
methyl 3-[3-bromo-2-carbamothioyl-N-(2-methoxyethyl)anilino]propanoate
CID 114882615
3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62684960
3-[(3-fluoro-2-pyridinyl)-(2-methoxyethyl)amino]propanimidamide
CID 63285684
2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 112686364
methyl 3-[4-carbamothioyl-3-chloro-N-(2-methoxyethyl)anilino]propanoate
CID 115534776
methyl 3-[4-bromo-2-carbamothioyl-N-(2-methoxyethyl)anilino]propanoate
CID 114891984
N'-hydroxy-3-[2-methoxyethyl-[3-(trifluoromethyl)-2-pyridinyl]amino]propanimidamide
CID 76993842

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate (CID 115538155) is methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)c1ncccc1C(N)=O.
What is the InChIKey of methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is LFFVQMTYMQIKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-9-8-16(7-5-11(17)20-2)13-10(12(14)18)4-3-6-15-13/h3-4,6H,5,7-9H2,1-2H3,(H2,14,18).
What are the key properties of methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 281.31 g/mol, XLogP of 0.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115538155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).