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Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate

C10H13N3O3 — CID 60926082

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1ccnc(C(N)=O)c1
InChIInChI=1S/C10H13N3O3/c1-16-9(14)3-5-12-7-2-4-13-8(6-7)10(11)15/h2,4,6H,3,5H2,1H3,(H2,11,15)(H,12,13)
InChIKeyBQFBHFOTCBURBW-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.16
Rot. Bonds5

About Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate

Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate (PubChem CID 60926082) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate.

Molecular Properties

Compound NameMethyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
PubChem CID60926082
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1ccnc(C(N)=O)c1
InChIInChI=1S/C10H13N3O3/c1-16-9(14)3-5-12-7-2-4-13-8(6-7)10(11)15/h2,4,6H,3,5H2,1H3,(H2,11,15)(H,12,13)
InChIKeyBQFBHFOTCBURBW-UHFFFAOYSA-N
XLogP0.16
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate?
The IUPAC name of Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate (CID 60926082) is methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate.
What is the SMILES notation for Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate?
The canonical SMILES for Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate is COC(=O)CCNc1ccnc(C(N)=O)c1.
What is the InChIKey of Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate?
The InChIKey is BQFBHFOTCBURBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-9(14)3-5-12-7-2-4-13-8(6-7)10(11)15/h2,4,6H,3,5H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate?
Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate has a molecular weight of 223.23 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 3-[(2-carbamoyl-4-pyridinyl)amino]propanoate is sourced from PubChem (CID 60926082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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