(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone

C16H23N3O2 — CID 63769851

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2C3CCC2CC(O)C3)ccn1
InChIInChI=1S/C16H23N3O2/c1-2-6-17-15-8-11(5-7-18-15)16(21)19-12-3-4-13(19)10-14(20)9-12/h5,7-8,12-14,20H,2-4,6,9-10H2,1H3,(H,17,18)
InChIKeyXIXYPQZKKUIXQY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.03
Rot. Bonds4

About (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone (PubChem CID 63769851) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone
PubChem CID63769851
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone
SMILESCCCNc1cc(C(=O)N2C3CCC2CC(O)C3)ccn1
InChIInChI=1S/C16H23N3O2/c1-2-6-17-15-8-11(5-7-18-15)16(21)19-12-3-4-13(19)10-14(20)9-12/h5,7-8,12-14,20H,2-4,6,9-10H2,1H3,(H,17,18)
InChIKeyXIXYPQZKKUIXQY-UHFFFAOYSA-N
XLogP2.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 104968822
[2-(dimethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764357
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 62173776
(2,3-dimethylpiperidin-1-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 62181812
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 107415245
8-[6-(propylamino)pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80845359
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83173918
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62179148
3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 113367923

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone (CID 63769851) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone is CCCNc1cc(C(=O)N2C3CCC2CC(O)C3)ccn1.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone?
The InChIKey is XIXYPQZKKUIXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-6-17-15-8-11(5-7-18-15)16(21)19-12-3-4-13(19)10-14(20)9-12/h5,7-8,12-14,20H,2-4,6,9-10H2,1H3,(H,17,18).
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone has a molecular weight of 289.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 63769851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).