[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone

C11H15N3O2 — CID 115312082

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESNCC1CCCN1C(=O)c1cncc(O)c1
InChIInChI=1S/C11H15N3O2/c12-5-9-2-1-3-14(9)11(16)8-4-10(15)7-13-6-8/h4,6-7,9,15H,1-3,5,12H2
InChIKeyKEZLQWPGFNWOCT-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.35
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 115312082) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
PubChem CID115312082
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESNCC1CCCN1C(=O)c1cncc(O)c1
InChIInChI=1S/C11H15N3O2/c12-5-9-2-1-3-14(9)11(16)8-4-10(15)7-13-6-8/h4,6-7,9,15H,1-3,5,12H2
InChIKeyKEZLQWPGFNWOCT-UHFFFAOYSA-N
XLogP0.35
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 119052252
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 63859028
(5-fluoro-3-pyridinyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103860842
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 78954237
5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 167743733
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone (CID 115312082) is [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is NCC1CCCN1C(=O)c1cncc(O)c1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is KEZLQWPGFNWOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-5-9-2-1-3-14(9)11(16)8-4-10(15)7-13-6-8/h4,6-7,9,15H,1-3,5,12H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 115312082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).