N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide

C16H25N3O4S — CID 141047356

IUPACN-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
SMILESCCCCC(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O
InChIInChI=1S/C16H25N3O4S/c1-2-3-8-15(21)18-13-7-6-11-19(12-14(13)20)24(22,23)16-9-4-5-10-17-16/h4-5,9-10,13-14,20H,2-3,6-8,11-12H2,1H3,(H,18,21)
InChIKeyRMOHCVPVJSGIBR-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.90
Rot. Bonds6

About N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide

N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide (PubChem CID 141047356) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
PubChem CID141047356
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
SMILESCCCCC(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O
InChIInChI=1S/C16H25N3O4S/c1-2-3-8-15(21)18-13-7-6-11-19(12-14(13)20)24(22,23)16-9-4-5-10-17-16/h4-5,9-10,13-14,20H,2-3,6-8,11-12H2,1H3,(H,18,21)
InChIKeyRMOHCVPVJSGIBR-UHFFFAOYSA-N
XLogP0.90
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)-3-methylpentanamide
CID 69310541
N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxohexan-2-yl]quinoline-2-carboxamide
CID 54207192
tert-butyl N-[(2S)-1-[(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10791044
N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]furan-2-carboxamide
CID 54279097
N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 91312639
N-[(2S)-1-[(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-3-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 131726980
N-[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]-4-methyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfonylamino]pentanamide
CID 91076458
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
(2S)-2-amino-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 69308262
1-[3-[[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-3-oxopropyl]cyclopentane-1-carboxamide
CID 173194102
5,6-difluoro-N-[1-[[(3S)-3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide
CID 91249647
(2R,5S,6S)-5-(3-cyclohexylpropanoylamino)-6-hydroxy-1-pyridin-2-ylsulfonylazepane-2-carboxamide
CID 21036384

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide?
The IUPAC name of N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide (CID 141047356) is N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide.
What is the SMILES notation for N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide?
The canonical SMILES for N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide is CCCCC(=O)NC1CCCN(S(=O)(=O)c2ccccn2)CC1O.
What is the InChIKey of N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide?
The InChIKey is RMOHCVPVJSGIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-2-3-8-15(21)18-13-7-6-11-19(12-14(13)20)24(22,23)16-9-4-5-10-17-16/h4-5,9-10,13-14,20H,2-3,6-8,11-12H2,1H3,(H,18,21).
What are the key properties of N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide?
N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide has a molecular weight of 355.46 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide is sourced from PubChem (CID 141047356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).