4-(pyridine-3-carbonylamino)butanoate

C10H11N2O3- — CID 4586549

IUPAC4-(pyridine-3-carbonylamino)butanoate
SMILESO=C([O-])CCCNC(=O)c1cccnc1
InChIInChI=1S/C10H12N2O3/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14)/p-1
InChIKeyNAJVRARAUNYNDX-UHFFFAOYSA-M
MW207.21 g/mol
LogP-0.66
Rot. Bonds5

About 4-(pyridine-3-carbonylamino)butanoate

4-(pyridine-3-carbonylamino)butanoate (PubChem CID 4586549) has the molecular formula C10H11N2O3- and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-(pyridine-3-carbonylamino)butanoate.

Molecular Properties

Compound Name4-(pyridine-3-carbonylamino)butanoate
PubChem CID4586549
Molecular FormulaC10H11N2O3-
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name4-(pyridine-3-carbonylamino)butanoate
SMILESO=C([O-])CCCNC(=O)c1cccnc1
InChIInChI=1S/C10H12N2O3/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14)/p-1
InChIKeyNAJVRARAUNYNDX-UHFFFAOYSA-M
XLogP-0.66
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 5-0.66
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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Related Compounds

N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(4-amino-4-hydroxyiminobutyl)pyridine-3-carboxamide
CID 76947453
S-(sulfanylmethyl) 4-(pyridine-3-carbonylamino)butanethioate
CID 123417051
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-octadecylpyridine-3-carboxamide
CID 3547337
potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate
CID 25072807
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide;1,1,2,2-tetrafluoro-1,2-diiodoethane
CID 139199292
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759

Frequently Asked Questions

What is the IUPAC name of 4-(pyridine-3-carbonylamino)butanoate?
The IUPAC name of 4-(pyridine-3-carbonylamino)butanoate (CID 4586549) is 4-(pyridine-3-carbonylamino)butanoate.
What is the SMILES notation for 4-(pyridine-3-carbonylamino)butanoate?
The canonical SMILES for 4-(pyridine-3-carbonylamino)butanoate is O=C([O-])CCCNC(=O)c1cccnc1.
What is the InChIKey of 4-(pyridine-3-carbonylamino)butanoate?
The InChIKey is NAJVRARAUNYNDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O3/c13-9(14)4-2-6-12-10(15)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2,(H,12,15)(H,13,14)/p-1.
What are the key properties of 4-(pyridine-3-carbonylamino)butanoate?
4-(pyridine-3-carbonylamino)butanoate has a molecular weight of 207.21 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridine-3-carbonylamino)butanoate is sourced from PubChem (CID 4586549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).