(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone

C14H20N2O2 — CID 80706943

IUPAC(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESCCC1CCCN(C(=O)c2ccncc2O)CC1
InChIInChI=1S/C14H20N2O2/c1-2-11-4-3-8-16(9-6-11)14(18)12-5-7-15-10-13(12)17/h5,7,10-11,17H,2-4,6,8-9H2,1H3
InChIKeyZYFUFEZDKQDNBE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.44
Rot. Bonds2

About (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone

(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 80706943) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
PubChem CID80706943
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESCCC1CCCN(C(=O)c2ccncc2O)CC1
InChIInChI=1S/C14H20N2O2/c1-2-11-4-3-8-16(9-6-11)14(18)12-5-7-15-10-13(12)17/h5,7,10-11,17H,2-4,6,8-9H2,1H3
InChIKeyZYFUFEZDKQDNBE-UHFFFAOYSA-N
XLogP2.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 80718021
(3-hydroxy-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 80706708
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
2-[1-(3-hydroxypyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 80707093
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443611
(4-amino-3-ethylpiperidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 81458088
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114802012
[3-ethyl-4-(methylamino)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 114506541
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-hydroxy-4-pyridinyl)methanone
CID 81442594

Frequently Asked Questions

What is the IUPAC name of (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone (CID 80706943) is (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone is CCC1CCCN(C(=O)c2ccncc2O)CC1.
What is the InChIKey of (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is ZYFUFEZDKQDNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-11-4-3-8-16(9-6-11)14(18)12-5-7-15-10-13(12)17/h5,7,10-11,17H,2-4,6,8-9H2,1H3.
What are the key properties of (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 80706943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).