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

C15H23N3O2 — CID 106642853

IUPACethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC1CCCNC1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)13-7-5-9-17-14(13)18(2)11-12-6-4-8-16-10-12/h5,7,9,12,16H,3-4,6,8,10-11H2,1-2H3
InChIKeySQAGUNAWXSDTCH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.69
Rot. Bonds5

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

ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate (PubChem CID 106642853) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
PubChem CID106642853
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC1CCCNC1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)13-7-5-9-17-14(13)18(2)11-12-6-4-8-16-10-12/h5,7,9,12,16H,3-4,6,8,10-11H2,1-2H3
InChIKeySQAGUNAWXSDTCH-UHFFFAOYSA-N
XLogP1.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
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-(piperidin-3-ylmethoxy)pyridine-3-carboxamide
CID 55065117
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
CID 60868679
ethyl 2-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348531
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate (CID 106642853) is ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N(C)CC1CCCNC1.
What is the InChIKey of ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate?
The InChIKey is SQAGUNAWXSDTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-15(19)13-7-5-9-17-14(13)18(2)11-12-6-4-8-16-10-12/h5,7,9,12,16H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate?
ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(piperidin-3-ylmethyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 106642853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).