4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one

C13H17N3O2 — CID 114039965

IUPAC4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CC(N)(C3CC3)C2)cc1=O
InChIInChI=1S/C13H17N3O2/c1-15-5-4-9(6-11(15)17)12(18)16-7-13(14,8-16)10-2-3-10/h4-6,10H,2-3,7-8,14H2,1H3
InChIKeyWVKLVUSOITZRSL-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.05
Rot. Bonds2

About 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one

4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one (PubChem CID 114039965) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one
PubChem CID114039965
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CC(N)(C3CC3)C2)cc1=O
InChIInChI=1S/C13H17N3O2/c1-15-5-4-9(6-11(15)17)12(18)16-7-13(14,8-16)10-2-3-10/h4-6,10H,2-3,7-8,14H2,1H3
InChIKeyWVKLVUSOITZRSL-UHFFFAOYSA-N
XLogP-0.05
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 79411364
1-methyl-4-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyridin-2-one
CID 102737698
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113263748
4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one
CID 55243953
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64605969
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793684
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 167791427
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one (CID 114039965) is 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CC(N)(C3CC3)C2)cc1=O.
What is the InChIKey of 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one?
The InChIKey is WVKLVUSOITZRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-5-4-9(6-11(15)17)12(18)16-7-13(14,8-16)10-2-3-10/h4-6,10H,2-3,7-8,14H2,1H3.
What are the key properties of 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one?
4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one has a molecular weight of 247.30 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 114039965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).