3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide

C13H19N3O2 — CID 115185783

IUPAC3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1(CN)COC1
InChIInChI=1S/C13H19N3O2/c1-16(7-5-11-4-2-3-6-15-11)12(17)13(8-14)9-18-10-13/h2-4,6H,5,7-10,14H2,1H3
InChIKeyJOOCFBJLFXBVAH-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.06
Rot. Bonds5

About 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide

3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide (PubChem CID 115185783) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide
PubChem CID115185783
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1(CN)COC1
InChIInChI=1S/C13H19N3O2/c1-16(7-5-11-4-2-3-6-15-11)12(17)13(8-14)9-18-10-13/h2-4,6H,5,7-10,14H2,1H3
InChIKeyJOOCFBJLFXBVAH-UHFFFAOYSA-N
XLogP0.06
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-(2-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 80590459
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-pyridin-2-ylethyl)cyclopentane-1-carboxamide
CID 76919337
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
CID 115185456
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylacetamide
CID 62681126
2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172548
2-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 116816951
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
methyl 3-(pyridin-2-ylmethyl)oxetane-3-carboxylate
CID 116930271

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide (CID 115185783) is 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide is CN(CCc1ccccn1)C(=O)C1(CN)COC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide?
The InChIKey is JOOCFBJLFXBVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(7-5-11-4-2-3-6-15-11)12(17)13(8-14)9-18-10-13/h2-4,6H,5,7-10,14H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide?
3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).