N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide

C17H24N2O4S — CID 136531982

IUPACN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C17H24N2O4S/c1-23-16-8-7-13(11-18-16)17(20)19(14-5-3-2-4-6-14)15-9-10-24(21,22)12-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3
InChIKeyZPMSLDCZKAWBLR-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.05
Rot. Bonds4

About N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide (PubChem CID 136531982) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide
PubChem CID136531982
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C17H24N2O4S/c1-23-16-8-7-13(11-18-16)17(20)19(14-5-3-2-4-6-14)15-9-10-24(21,22)12-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3
InChIKeyZPMSLDCZKAWBLR-UHFFFAOYSA-N
XLogP2.05
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
CID 136531983
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[(5-methyl-2-pyridinyl)oxy]acetamide
CID 136529605
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-3-carboxamide
CID 99577852
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531
4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110744264
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 99577403
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 63050092
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
CID 99577019
N-cyclopropyl-N-(2-hydroxyethyl)-6-methoxypyridine-3-carboxamide
CID 43577386

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide (CID 136531982) is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide?
The InChIKey is ZPMSLDCZKAWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-23-16-8-7-13(11-18-16)17(20)19(14-5-3-2-4-6-14)15-9-10-24(21,22)12-15/h7-8,11,14-15H,2-6,9-10,12H2,1H3.
What are the key properties of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide?
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 136531982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).