N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide

C16H23N3O4 — CID 126828459

IUPACN-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c(=O)c(C(=O)N2CCC(O)CC(C)(C)C2)c1
InChIInChI=1S/C16H23N3O4/c1-10(20)18-11-6-13(14(22)17-8-11)15(23)19-5-4-12(21)7-16(2,3)9-19/h6,8,12,21H,4-5,7,9H2,1-3H3,(H,17,22)(H,18,20)
InChIKeyYWOZKPDUXXRIKT-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.96
Rot. Bonds2

About N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide

N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide (PubChem CID 126828459) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide
PubChem CID126828459
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c(=O)c(C(=O)N2CCC(O)CC(C)(C)C2)c1
InChIInChI=1S/C16H23N3O4/c1-10(20)18-11-6-13(14(22)17-8-11)15(23)19-5-4-12(21)7-16(2,3)9-19/h6,8,12,21H,4-5,7,9H2,1-3H3,(H,17,22)(H,18,20)
InChIKeyYWOZKPDUXXRIKT-UHFFFAOYSA-N
XLogP0.96
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorothiophen-3-yl)-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 138035972
[(5R)-5-hydroxy-3,3-dimethylazepan-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 125144744
1-benzothiophen-3-yl-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 126838100
(3-chloro-1,2-oxazol-5-yl)-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 126828448
(5-hydroxy-3,3-dimethylazepan-1-yl)-[5-(3-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 126840056
(5-hydroxy-3,3-dimethylazepan-1-yl)-[5-(trifluoromethylsulfanyl)furan-2-yl]methanone
CID 126831891
1-[4-(5-hydroxy-3,3-dimethylazepan-1-yl)piperidin-1-yl]ethanone
CID 131905563
1-[(5R)-5-hydroxy-3,3-dimethylazepan-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 125144727
3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one
CID 63106058
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-fluorophenyl]acetamide;hydrochloride
CID 119409656

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide?
The IUPAC name of N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide (CID 126828459) is N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide?
The canonical SMILES for N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide is CC(=O)Nc1c[nH]c(=O)c(C(=O)N2CCC(O)CC(C)(C)C2)c1.
What is the InChIKey of N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide?
The InChIKey is YWOZKPDUXXRIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-10(20)18-11-6-13(14(22)17-8-11)15(23)19-5-4-12(21)7-16(2,3)9-19/h6,8,12,21H,4-5,7,9H2,1-3H3,(H,17,22)(H,18,20).
What are the key properties of N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide?
N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-hydroxy-3,3-dimethylazepane-1-carbonyl)-6-oxo-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 126828459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).