(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone

C15H22N2O2 — CID 63930804

IUPAC(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-4-12-5-3-7-17(8-6-12)15(19)13-9-14(18)11-16-10-13/h9-12,18H,2-8H2,1H3
InChIKeyGMSOIONJXRQLSO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.83
Rot. Bonds3

About (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone

(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone (PubChem CID 63930804) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
PubChem CID63930804
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cncc(O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-4-12-5-3-7-17(8-6-12)15(19)13-9-14(18)11-16-10-13/h9-12,18H,2-8H2,1H3
InChIKeyGMSOIONJXRQLSO-UHFFFAOYSA-N
XLogP2.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
(6-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 66464344
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
(5-hydroxy-3-pyridinyl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63852069
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 49065313
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63850646
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414
[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone
CID 58210629
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone?
The IUPAC name of (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone (CID 63930804) is (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone.
What is the SMILES notation for (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone?
The canonical SMILES for (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone is CCCC1CCCN(C(=O)c2cncc(O)c2)CC1.
What is the InChIKey of (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone?
The InChIKey is GMSOIONJXRQLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-4-12-5-3-7-17(8-6-12)15(19)13-9-14(18)11-16-10-13/h9-12,18H,2-8H2,1H3.
What are the key properties of (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone?
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone is sourced from PubChem (CID 63930804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).