(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone

C13H18N4O2 — CID 66203985

IUPAC(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ncccc1O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H18N4O2/c18-11-2-1-3-15-12(11)13(19)17-8-10(9-17)16-6-4-14-5-7-16/h1-3,10,14,18H,4-9H2
InChIKeyFGUBQYFVBBPANU-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.48
Rot. Bonds2

About (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone

(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone (PubChem CID 66203985) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
PubChem CID66203985
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
SMILESO=C(c1ncccc1O)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H18N4O2/c18-11-2-1-3-15-12(11)13(19)17-8-10(9-17)16-6-4-14-5-7-16/h1-3,10,14,18H,4-9H2
InChIKeyFGUBQYFVBBPANU-UHFFFAOYSA-N
XLogP-0.48
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 66372247
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
2-(3-hydroxypyridine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863356
(3-hydroxy-2-pyridinyl)-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 95707922
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
CID 60923480
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928
[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 91795995
1-[1-(3-bromo-2-pyridinyl)azetidin-3-yl]piperazine
CID 66196786
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
(3-iodophenyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66202818

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone (CID 66203985) is (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone is O=C(c1ncccc1O)N1CC(N2CCNCC2)C1.
What is the InChIKey of (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
The InChIKey is FGUBQYFVBBPANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-11-2-1-3-15-12(11)13(19)17-8-10(9-17)16-6-4-14-5-7-16/h1-3,10,14,18H,4-9H2.
What are the key properties of (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone?
(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 66203985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).