ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate

C15H22N2O2 — CID 133469103

IUPACethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC1CCCC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)13-9-6-10-16-14(13)17(2)11-12-7-4-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyAUPTXNOZXLDOPM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.88
Rot. Bonds5

About ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate

ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate (PubChem CID 133469103) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
PubChem CID133469103
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC1CCCC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)13-9-6-10-16-14(13)17(2)11-12-7-4-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3
InChIKeyAUPTXNOZXLDOPM-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
CID 106642853
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
CID 116653490
ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 78971246
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
CID 60868679
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
CID 54999147
ethyl 3-amino-2-[cyclopropylmethyl(methyl)amino]benzoate
CID 112578270
2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 62819083
ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
CID 62983308
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate (CID 133469103) is ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N(C)CC1CCCC1.
What is the InChIKey of ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate?
The InChIKey is AUPTXNOZXLDOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(18)13-9-6-10-16-14(13)17(2)11-12-7-4-5-8-12/h6,9-10,12H,3-5,7-8,11H2,1-2H3.
What are the key properties of ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate?
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 133469103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).