ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate

C14H20N2O2 — CID 104695510

IUPACethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCCC1CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)12-6-4-10-16-13(12)15-9-3-5-11-7-8-11/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,15,16)
InChIKeyJGPMASORRJGOCN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.86
Rot. Bonds7

About ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate

ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate (PubChem CID 104695510) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
PubChem CID104695510
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCCCC1CC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)12-6-4-10-16-13(12)15-9-3-5-11-7-8-11/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,15,16)
InChIKeyJGPMASORRJGOCN-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.86
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

ethyl 2-[(4-butylcyclohexanecarbonyl)amino]pyridine-3-carboxylate
CID 110440902
4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
CID 104695484
ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate
CID 63870177
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106337804

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate (CID 104695510) is ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCCCC1CC1.
What is the InChIKey of ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate?
The InChIKey is JGPMASORRJGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)12-6-4-10-16-13(12)15-9-3-5-11-7-8-11/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate?
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate is sourced from PubChem (CID 104695510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).