N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

C17H23N3O4S — CID 109081834

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(=O)NC3CCS(=O)(=O)C3)ccn2)CC1
InChIInChI=1S/C17H23N3O4S/c1-12-3-7-20(8-4-12)17(22)15-10-13(2-6-18-15)16(21)19-14-5-9-25(23,24)11-14/h2,6,10,12,14H,3-5,7-9,11H2,1H3,(H,19,21)
InChIKeyJKJQZFXMBGTZLK-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.87
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109081834) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109081834
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCC1CCN(C(=O)c2cc(C(=O)NC3CCS(=O)(=O)C3)ccn2)CC1
InChIInChI=1S/C17H23N3O4S/c1-12-3-7-20(8-4-12)17(22)15-10-13(2-6-18-15)16(21)19-14-5-9-25(23,24)11-14/h2,6,10,12,14H,3-5,7-9,11H2,1H3,(H,19,21)
InChIKeyJKJQZFXMBGTZLK-UHFFFAOYSA-N
XLogP0.87
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080690
N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
2-N-[3-(dimethylamino)propyl]-4-N-(1,1-dioxothiolan-3-yl)pyridine-2,4-dicarboxamide
CID 109084031
2-(4-methylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055947
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide
CID 109081367
N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
N-cyclopentyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109080701
N-(2,6-dichlorophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081931
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
2-(4-methylpiperidine-1-carbonyl)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109081800

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109081834) is N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is CC1CCN(C(=O)c2cc(C(=O)NC3CCS(=O)(=O)C3)ccn2)CC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is JKJQZFXMBGTZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-12-3-7-20(8-4-12)17(22)15-10-13(2-6-18-15)16(21)19-14-5-9-25(23,24)11-14/h2,6,10,12,14H,3-5,7-9,11H2,1H3,(H,19,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109081834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).