(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone

C11H15N3O2 — CID 103576007

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESCC1CN(C(=O)c2ccncc2O)CC1N
InChIInChI=1S/C11H15N3O2/c1-7-5-14(6-9(7)12)11(16)8-2-3-13-4-10(8)15/h2-4,7,9,15H,5-6,12H2,1H3
InChIKeyPXZRTQWDQQUWDG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.21
Rot. Bonds1

About (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 103576007) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
PubChem CID103576007
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESCC1CN(C(=O)c2ccncc2O)CC1N
InChIInChI=1S/C11H15N3O2/c1-7-5-14(6-9(7)12)11(16)8-2-3-13-4-10(8)15/h2-4,7,9,15H,5-6,12H2,1H3
InChIKeyPXZRTQWDQQUWDG-UHFFFAOYSA-N
XLogP0.21
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-4-methylpyrrolidin-1-yl)-(2-hydroxyphenyl)methanone
CID 103575825
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 102933129
[3-(bromomethyl)azetidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 130531502
(3-hydroxy-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115696759
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114506541
[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 135101939
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
[4-(1-aminopentan-2-yl)piperazin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81439177
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone (CID 103576007) is (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone is CC1CN(C(=O)c2ccncc2O)CC1N.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is PXZRTQWDQQUWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-5-14(6-9(7)12)11(16)8-2-3-13-4-10(8)15/h2-4,7,9,15H,5-6,12H2,1H3.
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 103576007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).