methyl 4-(pyridine-2-carbonylamino)butanoate

C11H14N2O3 — CID 2466151

IUPACmethyl 4-(pyridine-2-carbonylamino)butanoate
SMILESCOC(=O)CCCNC(=O)c1ccccn1
InChIInChI=1S/C11H14N2O3/c1-16-10(14)6-4-8-13-11(15)9-5-2-3-7-12-9/h2-3,5,7H,4,6,8H2,1H3,(H,13,15)
InChIKeyICYVRSWUMJYGRV-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.76
Rot. Bonds5

About methyl 4-(pyridine-2-carbonylamino)butanoate

methyl 4-(pyridine-2-carbonylamino)butanoate (PubChem CID 2466151) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 4-(pyridine-2-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(pyridine-2-carbonylamino)butanoate
PubChem CID2466151
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 4-(pyridine-2-carbonylamino)butanoate
SMILESCOC(=O)CCCNC(=O)c1ccccn1
InChIInChI=1S/C11H14N2O3/c1-16-10(14)6-4-8-13-11(15)9-5-2-3-7-12-9/h2-3,5,7H,4,6,8H2,1H3,(H,13,15)
InChIKeyICYVRSWUMJYGRV-UHFFFAOYSA-N
XLogP0.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(pyridine-2-carbonylamino)butanoate?
The IUPAC name of methyl 4-(pyridine-2-carbonylamino)butanoate (CID 2466151) is methyl 4-(pyridine-2-carbonylamino)butanoate.
What is the SMILES notation for methyl 4-(pyridine-2-carbonylamino)butanoate?
The canonical SMILES for methyl 4-(pyridine-2-carbonylamino)butanoate is COC(=O)CCCNC(=O)c1ccccn1.
What is the InChIKey of methyl 4-(pyridine-2-carbonylamino)butanoate?
The InChIKey is ICYVRSWUMJYGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-10(14)6-4-8-13-11(15)9-5-2-3-7-12-9/h2-3,5,7H,4,6,8H2,1H3,(H,13,15).
What are the key properties of methyl 4-(pyridine-2-carbonylamino)butanoate?
methyl 4-(pyridine-2-carbonylamino)butanoate has a molecular weight of 222.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(pyridine-2-carbonylamino)butanoate is sourced from PubChem (CID 2466151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).