[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

C12H17N3O2 — CID 114802012

IUPAC[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESNCCC1CCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C12H17N3O2/c13-4-1-9-3-6-15(8-9)12(17)10-2-5-14-7-11(10)16/h2,5,7,9,16H,1,3-4,6,8,13H2
InChIKeySIXFJHDSYBRQLD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.60
Rot. Bonds3

About [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone

[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 114802012) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
PubChem CID114802012
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
SMILESNCCC1CCN(C(=O)c2ccncc2O)C1
InChIInChI=1S/C12H17N3O2/c13-4-1-9-3-6-15(8-9)12(17)10-2-5-14-7-11(10)16/h2,5,7,9,16H,1,3-4,6,8,13H2
InChIKeySIXFJHDSYBRQLD-UHFFFAOYSA-N
XLogP0.60
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 80718021
2-[1-(3-hydroxypyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 80707093
[3-(2-aminoethyl)pyrrolidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114802128
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80706708
[3-(2-chloroethyl)pyrrolidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 114801323
[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 130531502
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone (CID 114802012) is [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is NCCC1CCN(C(=O)c2ccncc2O)C1.
What is the InChIKey of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is SIXFJHDSYBRQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-4-1-9-3-6-15(8-9)12(17)10-2-5-14-7-11(10)16/h2,5,7,9,16H,1,3-4,6,8,13H2.
What are the key properties of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone?
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 114802012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).