5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one

C13H19N3O2 — CID 103946512

IUPAC5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(C(C)N)C2)c[nH]1
InChIInChI=1S/C13H19N3O2/c1-8-5-12(17)11(6-15-8)13(18)16-4-3-10(7-16)9(2)14/h5-6,9-10H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyAGVCEUHNTZAQEG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.49
Rot. Bonds2

About 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one

5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (PubChem CID 103946512) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
PubChem CID103946512
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(C(C)N)C2)c[nH]1
InChIInChI=1S/C13H19N3O2/c1-8-5-12(17)11(6-15-8)13(18)16-4-3-10(7-16)9(2)14/h5-6,9-10H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyAGVCEUHNTZAQEG-UHFFFAOYSA-N
XLogP0.49
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 56909455
methyl 1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 103717650
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 112630666
2-methyl-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103785634
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732213
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 113360696
methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921
2-[1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103804158
2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667
5-(2,6-dimethylmorpholine-4-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696163
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022814
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 112630543

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one (CID 103946512) is 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCC(C(C)N)C2)c[nH]1.
What is the InChIKey of 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
The InChIKey is AGVCEUHNTZAQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-5-12(17)11(6-15-8)13(18)16-4-3-10(7-16)9(2)14/h5-6,9-10H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one?
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one has a molecular weight of 249.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 103946512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).