2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide

C13H17N3O2 — CID 167327659

IUPAC2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CN(C(=O)c2ccncc2)C1
InChIInChI=1S/C13H17N3O2/c1-9(2)12(17)15-11-7-16(8-11)13(18)10-3-5-14-6-4-10/h3-6,9,11H,7-8H2,1-2H3,(H,15,17)
InChIKeyYCFCKXFFPPIWHG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide

2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide (PubChem CID 167327659) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide
PubChem CID167327659
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CN(C(=O)c2ccncc2)C1
InChIInChI=1S/C13H17N3O2/c1-9(2)12(17)15-11-7-16(8-11)13(18)10-3-5-14-6-4-10/h3-6,9,11H,7-8H2,1-2H3,(H,15,17)
InChIKeyYCFCKXFFPPIWHG-UHFFFAOYSA-N
XLogP0.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide (CID 167327659) is 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide is CC(C)C(=O)NC1CN(C(=O)c2ccncc2)C1.
What is the InChIKey of 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide?
The InChIKey is YCFCKXFFPPIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(2)12(17)15-11-7-16(8-11)13(18)10-3-5-14-6-4-10/h3-6,9,11H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide?
2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]propanamide is sourced from PubChem (CID 167327659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).