(3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

C11H15N3O2 — CID 107219495

IUPAC(3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2ncccc2N)C1
InChIInChI=1S/C11H15N3O2/c1-2-11(16)6-14(7-11)10(15)9-8(12)4-3-5-13-9/h3-5,16H,2,6-7,12H2,1H3
InChIKeyOCKBDXMFHRGEEV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.26
Rot. Bonds2

About (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

(3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 107219495) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID107219495
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2ncccc2N)C1
InChIInChI=1S/C11H15N3O2/c1-2-11(16)6-14(7-11)10(15)9-8(12)4-3-5-13-9/h3-5,16H,2,6-7,12H2,1H3
InChIKeyOCKBDXMFHRGEEV-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-2-pyridinyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104742371
1-(3-aminopyridine-2-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 104742274
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
(4-amino-1,2,5-oxadiazol-3-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107219737
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473
(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
CID 143724925
(3-amino-2-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 104742252
(4-amino-1-methylpyrazol-5-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210607

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (CID 107219495) is (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is CCC1(O)CN(C(=O)c2ncccc2N)C1.
What is the InChIKey of (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is OCKBDXMFHRGEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-11(16)6-14(7-11)10(15)9-8(12)4-3-5-13-9/h3-5,16H,2,6-7,12H2,1H3.
What are the key properties of (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
(3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107219495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).