N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide

C16H23N3O3S — CID 70089533

IUPACN-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide
SMILESCCCCC(=O)NC1CCCN(S(=O)c2ccccn2)CC1=O
InChIInChI=1S/C16H23N3O3S/c1-2-3-8-15(21)18-13-7-6-11-19(12-14(13)20)23(22)16-9-4-5-10-17-16/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,18,21)
InChIKeyLCLHJBCOTQMWIE-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.44
Rot. Bonds6

About N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide

N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide (PubChem CID 70089533) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide.

Molecular Properties

Compound NameN-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide
PubChem CID70089533
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide
SMILESCCCCC(=O)NC1CCCN(S(=O)c2ccccn2)CC1=O
InChIInChI=1S/C16H23N3O3S/c1-2-3-8-15(21)18-13-7-6-11-19(12-14(13)20)23(22)16-9-4-5-10-17-16/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,18,21)
InChIKeyLCLHJBCOTQMWIE-UHFFFAOYSA-N
XLogP1.44
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide?
The IUPAC name of N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide (CID 70089533) is N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide.
What is the SMILES notation for N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide?
The canonical SMILES for N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide is CCCCC(=O)NC1CCCN(S(=O)c2ccccn2)CC1=O.
What is the InChIKey of N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide?
The InChIKey is LCLHJBCOTQMWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-2-3-8-15(21)18-13-7-6-11-19(12-14(13)20)23(22)16-9-4-5-10-17-16/h4-5,9-10,13H,2-3,6-8,11-12H2,1H3,(H,18,21).
What are the key properties of N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide?
N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide has a molecular weight of 337.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1-pyridin-2-ylsulfinylazepan-4-yl)pentanamide is sourced from PubChem (CID 70089533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).