methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate

C12H17N3O2 — CID 114075171

IUPACmethyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate
SMILESCCN(c1cc(C(=O)OC)ccn1)C1CNC1
InChIInChI=1S/C12H17N3O2/c1-3-15(10-7-13-8-10)11-6-9(4-5-14-11)12(16)17-2/h4-6,10,13H,3,7-8H2,1-2H3
InChIKeyZGKMMUKNXIIOIY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.67
Rot. Bonds4

About methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate

methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate (PubChem CID 114075171) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate
PubChem CID114075171
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate
SMILESCCN(c1cc(C(=O)OC)ccn1)C1CNC1
InChIInChI=1S/C12H17N3O2/c1-3-15(10-7-13-8-10)11-6-9(4-5-14-11)12(16)17-2/h4-6,10,13H,3,7-8H2,1-2H3
InChIKeyZGKMMUKNXIIOIY-UHFFFAOYSA-N
XLogP0.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(piperidin-3-yl)amino]pyridine-4-carboxamide
CID 55244733
methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate
CID 155292022
methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate
CID 114075000
methyl 4-chloro-3-[[2-(diethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109174778
methyl 2-cyclopropylsulfanylpyridine-4-carboxylate
CID 163367692
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
CID 61442819
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 114074920
(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate
CID 51114366
methyl 3-[[4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidin-2-yl]amino]benzoate
CID 112897632
methyl 6-[azetidin-3-yl(propyl)amino]pyrazine-2-carboxylate
CID 66458156

Frequently Asked Questions

What is the IUPAC name of methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate (CID 114075171) is methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate is CCN(c1cc(C(=O)OC)ccn1)C1CNC1.
What is the InChIKey of methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate?
The InChIKey is ZGKMMUKNXIIOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-15(10-7-13-8-10)11-6-9(4-5-14-11)12(16)17-2/h4-6,10,13H,3,7-8H2,1-2H3.
What are the key properties of methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate?
methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114075171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).