methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate

C14H20N2O2 — CID 114198795

IUPACmethyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate
SMILESCCC1(NCc2ncccc2C(=O)OC)CCC1
InChIInChI=1S/C14H20N2O2/c1-3-14(7-5-8-14)16-10-12-11(13(17)18-2)6-4-9-15-12/h4,6,9,16H,3,5,7-8,10H2,1-2H3
InChIKeyKNNCGIGEKIPXHN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.29
Rot. Bonds5

About methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate

methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate (PubChem CID 114198795) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate
PubChem CID114198795
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate
SMILESCCC1(NCc2ncccc2C(=O)OC)CCC1
InChIInChI=1S/C14H20N2O2/c1-3-14(7-5-8-14)16-10-12-11(13(17)18-2)6-4-9-15-12/h4,6,9,16H,3,5,7-8,10H2,1-2H3
InChIKeyKNNCGIGEKIPXHN-UHFFFAOYSA-N
XLogP2.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3-methoxy-3-oxopropyl)amino]methyl]pyridine-3-carboxylate
CID 114198641
methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate
CID 114198781
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate
CID 114198822
2-(ethylamino)-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
CID 113489132
methyl 2-(2-cyanoethyl)pyridine-3-carboxylate
CID 146567740
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate
CID 105418983
cyclohexane;methyl 2-chloropyridine-3-carboxylate
CID 175229380
methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 62526363
methyl 2-methylpyridine-3-carboxylate
CID 7015327

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate (CID 114198795) is methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate is CCC1(NCc2ncccc2C(=O)OC)CCC1.
What is the InChIKey of methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is KNNCGIGEKIPXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-14(7-5-8-14)16-10-12-11(13(17)18-2)6-4-9-15-12/h4,6,9,16H,3,5,7-8,10H2,1-2H3.
What are the key properties of methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate?
methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 114198795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).