3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide

C12H17N3O2 — CID 115185753

IUPAC3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide
SMILESNCC1(C(=O)NCCc2ccncc2)COC1
InChIInChI=1S/C12H17N3O2/c13-7-12(8-17-9-12)11(16)15-6-3-10-1-4-14-5-2-10/h1-2,4-5H,3,6-9,13H2,(H,15,16)
InChIKeyGXPGCLBBBUPHIP-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.28
Rot. Bonds5

About 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide

3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide (PubChem CID 115185753) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide
PubChem CID115185753
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide
SMILESNCC1(C(=O)NCCc2ccncc2)COC1
InChIInChI=1S/C12H17N3O2/c13-7-12(8-17-9-12)11(16)15-6-3-10-1-4-14-5-2-10/h1-2,4-5H,3,6-9,13H2,(H,15,16)
InChIKeyGXPGCLBBBUPHIP-UHFFFAOYSA-N
XLogP-0.28
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide
CID 115185742
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120922301
3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid
CID 116930166
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
4-(aminomethyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]oxane-4-carboxamide
CID 120925955
4-(aminomethyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]oxane-4-carboxamide
CID 120929098
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
3-(aminomethyl)-N-[(3-fluorophenyl)methyl]oxetane-3-carboxamide
CID 115185672
4-(aminomethyl)-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]oxane-4-carboxamide;hydrochloride
CID 120931729

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide (CID 115185753) is 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide is NCC1(C(=O)NCCc2ccncc2)COC1.
What is the InChIKey of 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide?
The InChIKey is GXPGCLBBBUPHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-7-12(8-17-9-12)11(16)15-6-3-10-1-4-14-5-2-10/h1-2,4-5H,3,6-9,13H2,(H,15,16).
What are the key properties of 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide?
3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-pyridin-4-ylethyl)oxetane-3-carboxamide is sourced from PubChem (CID 115185753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).