ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate

C13H18N2O2 — CID 43298774

IUPACethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC1CCC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)11-7-4-8-14-12(11)15-9-10-5-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,14,15)
InChIKeyBCLKMKLRXNAEJO-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.47
Rot. Bonds5

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

ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate (PubChem CID 43298774) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
PubChem CID43298774
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC1CCC1
InChIInChI=1S/C13H18N2O2/c1-2-17-13(16)11-7-4-8-14-12(11)15-9-10-5-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,14,15)
InChIKeyBCLKMKLRXNAEJO-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(thian-4-ylmethylamino)pyridine-3-carboxylate
CID 104695484
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510
ethyl 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyridine-3-carboxylate
CID 60817282
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
CID 133469048
ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]pyridine-3-carboxylate
CID 107389666
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate (CID 43298774) is ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC1CCC1.
What is the InChIKey of ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate?
The InChIKey is BCLKMKLRXNAEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-17-13(16)11-7-4-8-14-12(11)15-9-10-5-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,14,15).
What are the key properties of ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate?
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 43298774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).