(pyridine-3-carbonylamino)methyl butanoate

C11H14N2O3 — CID 138705851

IUPAC(pyridine-3-carbonylamino)methyl butanoate
SMILESCCCC(=O)OCNC(=O)c1cccnc1
InChIInChI=1S/C11H14N2O3/c1-2-4-10(14)16-8-13-11(15)9-5-3-6-12-7-9/h3,5-7H,2,4,8H2,1H3,(H,13,15)
InChIKeyATXBJKPNTKMBOB-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.11
Rot. Bonds5

About (pyridine-3-carbonylamino)methyl butanoate

(pyridine-3-carbonylamino)methyl butanoate (PubChem CID 138705851) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (pyridine-3-carbonylamino)methyl butanoate.

Molecular Properties

Compound Name(pyridine-3-carbonylamino)methyl butanoate
PubChem CID138705851
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(pyridine-3-carbonylamino)methyl butanoate
SMILESCCCC(=O)OCNC(=O)c1cccnc1
InChIInChI=1S/C11H14N2O3/c1-2-4-10(14)16-8-13-11(15)9-5-3-6-12-7-9/h3,5-7H,2,4,8H2,1H3,(H,13,15)
InChIKeyATXBJKPNTKMBOB-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
3-methylbutan-2-yl 2-(pyridine-3-carbonylamino)acetate
CID 171414103
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
ethyl 2-chloro-2-oxoacetate;ethyl 2-oxo-3-(pyridine-3-carbonylamino)propanoate;pyridine-3-carbohydrazide
CID 160621974

Frequently Asked Questions

What is the IUPAC name of (pyridine-3-carbonylamino)methyl butanoate?
The IUPAC name of (pyridine-3-carbonylamino)methyl butanoate (CID 138705851) is (pyridine-3-carbonylamino)methyl butanoate.
What is the SMILES notation for (pyridine-3-carbonylamino)methyl butanoate?
The canonical SMILES for (pyridine-3-carbonylamino)methyl butanoate is CCCC(=O)OCNC(=O)c1cccnc1.
What is the InChIKey of (pyridine-3-carbonylamino)methyl butanoate?
The InChIKey is ATXBJKPNTKMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-4-10(14)16-8-13-11(15)9-5-3-6-12-7-9/h3,5-7H,2,4,8H2,1H3,(H,13,15).
What are the key properties of (pyridine-3-carbonylamino)methyl butanoate?
(pyridine-3-carbonylamino)methyl butanoate has a molecular weight of 222.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (pyridine-3-carbonylamino)methyl butanoate is sourced from PubChem (CID 138705851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).