methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate

C15H23N3O2 — CID 106643376

IUPACmethyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
SMILESCCN(CC1CCCNC1)c1ccnc(C(=O)OC)c1
InChIInChI=1S/C15H23N3O2/c1-3-18(11-12-5-4-7-16-10-12)13-6-8-17-14(9-13)15(19)20-2/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeyUFRJEZMDKLGWED-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.69
Rot. Bonds5

About methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate

methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate (PubChem CID 106643376) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
PubChem CID106643376
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
SMILESCCN(CC1CCCNC1)c1ccnc(C(=O)OC)c1
InChIInChI=1S/C15H23N3O2/c1-3-18(11-12-5-4-7-16-10-12)13-6-8-17-14(9-13)15(19)20-2/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3
InChIKeyUFRJEZMDKLGWED-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

4-[piperidin-3-ylmethyl(propyl)amino]pyridine-2-carboxamide
CID 106644188
methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate
CID 66284702
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
CID 66287511
2-methoxy-N-(piperidin-3-ylmethyl)-N-propylpyridin-4-amine
CID 106643981
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-2-carboxylate
CID 79390088
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643619
[(3R)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319361
[(3S)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319363
methyl 3-[methyl(piperidin-3-ylmethyl)amino]benzoate
CID 117028837
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate (CID 106643376) is methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate is CCN(CC1CCCNC1)c1ccnc(C(=O)OC)c1.
What is the InChIKey of methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate?
The InChIKey is UFRJEZMDKLGWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-18(11-12-5-4-7-16-10-12)13-6-8-17-14(9-13)15(19)20-2/h6,8-9,12,16H,3-5,7,10-11H2,1-2H3.
What are the key properties of methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate?
methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-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 methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 106643376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).