5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one

C13H21N3O2 — CID 112624400

IUPAC5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCC(CO)C2)c1
InChIInChI=1S/C13H21N3O2/c14-12-2-3-13(18)16(9-12)6-1-5-15-7-4-11(8-15)10-17/h2-3,9,11,17H,1,4-8,10,14H2
InChIKeyGVGKIZBBOCGPEM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.13
Rot. Bonds5

About 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one

5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one (PubChem CID 112624400) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one
PubChem CID112624400
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCCN2CCC(CO)C2)c1
InChIInChI=1S/C13H21N3O2/c14-12-2-3-13(18)16(9-12)6-1-5-15-7-4-11(8-15)10-17/h2-3,9,11,17H,1,4-8,10,14H2
InChIKeyGVGKIZBBOCGPEM-UHFFFAOYSA-N
XLogP0.13
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[3-(4-hydroxypiperidin-1-yl)propyl]pyridin-2-one
CID 43259546
5-amino-1-[3-(3,4-dimethylpiperazin-1-yl)propyl]pyridin-2-one
CID 63604666
5-amino-1-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]pyridin-2-one
CID 63603465
5-amino-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816686
5-amino-1-[3-(2-methyl-1,4-oxazepan-4-yl)propyl]pyridin-2-one
CID 62988257
7-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095689
5-amino-1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 106835439
5-amino-1-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 63972270
5-amino-1-[3-(2,6-dimethylpiperidin-1-yl)propyl]pyridin-2-one
CID 43259593
1-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]piperidine-4-carboxamide
CID 43259605
2-[3-(5-amino-2-oxo-1-pyridinyl)propyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512427
5-amino-1-[3-(2-cyclopropylethoxy)propyl]pyridin-2-one
CID 106199955

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one (CID 112624400) is 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one is Nc1ccc(=O)n(CCCN2CCC(CO)C2)c1.
What is the InChIKey of 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one?
The InChIKey is GVGKIZBBOCGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-12-2-3-13(18)16(9-12)6-1-5-15-7-4-11(8-15)10-17/h2-3,9,11,17H,1,4-8,10,14H2.
What are the key properties of 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one?
5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]propyl]pyridin-2-one is sourced from PubChem (CID 112624400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).