methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate

C14H21N3O2 — CID 66285918

IUPACmethyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N(C)C2CCCC2CN)ccn1
InChIInChI=1S/C14H21N3O2/c1-17(13-5-3-4-10(13)9-15)11-6-7-16-12(8-11)14(18)19-2/h6-8,10,13H,3-5,9,15H2,1-2H3
InChIKeyWDVBGBGWXCEBRE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds4

About methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate

methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate (PubChem CID 66285918) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate
PubChem CID66285918
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N(C)C2CCCC2CN)ccn1
InChIInChI=1S/C14H21N3O2/c1-17(13-5-3-4-10(13)9-15)11-6-7-16-12(8-11)14(18)19-2/h6-8,10,13H,3-5,9,15H2,1-2H3
InChIKeyWDVBGBGWXCEBRE-UHFFFAOYSA-N
XLogP1.43
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate (CID 66285918) is methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate is COC(=O)c1cc(N(C)C2CCCC2CN)ccn1.
What is the InChIKey of methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate?
The InChIKey is WDVBGBGWXCEBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(13-5-3-4-10(13)9-15)11-6-7-16-12(8-11)14(18)19-2/h6-8,10,13H,3-5,9,15H2,1-2H3.
What are the key properties of methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate?
methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 66285918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).