N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide

C13H17N3O3 — CID 112533607

IUPACN-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide
SMILESNC1(CC(=O)NC(=O)CCc2ccncc2)COC1
InChIInChI=1S/C13H17N3O3/c14-13(8-19-9-13)7-12(18)16-11(17)2-1-10-3-5-15-6-4-10/h3-6H,1-2,7-9,14H2,(H,16,17,18)
InChIKeyBHUSZCVNJRFRTG-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.23
Rot. Bonds5

About N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide

N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide (PubChem CID 112533607) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide
PubChem CID112533607
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide
SMILESNC1(CC(=O)NC(=O)CCc2ccncc2)COC1
InChIInChI=1S/C13H17N3O3/c14-13(8-19-9-13)7-12(18)16-11(17)2-1-10-3-5-15-6-4-10/h3-6H,1-2,7-9,14H2,(H,16,17,18)
InChIKeyBHUSZCVNJRFRTG-UHFFFAOYSA-N
XLogP-0.23
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide (CID 112533607) is N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide is NC1(CC(=O)NC(=O)CCc2ccncc2)COC1.
What is the InChIKey of N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide?
The InChIKey is BHUSZCVNJRFRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-13(8-19-9-13)7-12(18)16-11(17)2-1-10-3-5-15-6-4-10/h3-6H,1-2,7-9,14H2,(H,16,17,18).
What are the key properties of N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide?
N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide has a molecular weight of 263.30 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminooxetan-3-yl)acetyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 112533607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).