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

C12H17N3O2 — CID 112630666

IUPAC5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(N)C1CCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H17N3O2/c1-8(13)10-4-5-15(7-10)12(17)9-2-3-11(16)14-6-9/h2-3,6,8,10H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyGOLSUTMQKWFWRE-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.18
Rot. Bonds2

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

5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 112630666) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID112630666
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(N)C1CCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C12H17N3O2/c1-8(13)10-4-5-15(7-10)12(17)9-2-3-11(16)14-6-9/h2-3,6,8,10H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyGOLSUTMQKWFWRE-UHFFFAOYSA-N
XLogP0.18
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681235
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 112630740
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022814
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512
[3-(1-aminoethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 115969439
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 113356586
N-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 49348738
5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 115611728
5-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 56866375
5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
CID 114217645
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 112630666) is 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CC(N)C1CCN(C(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is GOLSUTMQKWFWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(13)10-4-5-15(7-10)12(17)9-2-3-11(16)14-6-9/h2-3,6,8,10H,4-5,7,13H2,1H3,(H,14,16).
What are the key properties of 5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.18, 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]-1H-pyridin-2-one is sourced from PubChem (CID 112630666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).