1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C18H19N5O4S — CID 3238036

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1
InChIInChI=1S/C18H19N5O4S/c1-12-5-8-19-16(11-12)20-18(24)13-6-9-23(10-7-13)28(25,26)15-4-2-3-14-17(15)22-27-21-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,20,24)
InChIKeyNHANVDOREAKGGW-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.97
Rot. Bonds4

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 3238036) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID3238036
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1
InChIInChI=1S/C18H19N5O4S/c1-12-5-8-19-16(11-12)20-18(24)13-6-9-23(10-7-13)28(25,26)15-4-2-3-14-17(15)22-27-21-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,20,24)
InChIKeyNHANVDOREAKGGW-UHFFFAOYSA-N
XLogP1.97
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 3242997
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-methylpyridin-2-yl)piperidine-4-carboxamide
CID 3235981
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 3241494
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methylpyridin-2-yl)piperidine-4-carboxamide
CID 3243077
N-[2-oxo-1-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 3245239
N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 9550316
N-({4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]cyclohexyl}methyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 16194468
1-(2,1,3-Benzoxadiazole-4-sulfonyl)-N-(pyridin-3-YL)piperidine-4-carboxamide
CID 9551102
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(5-methylpyridin-2-yl)piperidine-4-carboxamide
CID 3236809
2-(Benzo[c][1,2,5]thiadiazole-4-sulfonamido)-N-(4-chloro-1,1-dioxidotetrahydrothiophen-3-yl)-3-methylbutanamide
CID 9550519
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(6-methylpyridin-2-yl)piperidine-3-carboxamide
CID 3240096
2-(N-Methyl2,1,3-benzothiadiazole-4-sulfonamido)-N-(4-methylpyridin-2-YL)acetamide
CID 3240970

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 3238036) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is NHANVDOREAKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-12-5-8-19-16(11-12)20-18(24)13-6-9-23(10-7-13)28(25,26)15-4-2-3-14-17(15)22-27-21-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,19,20,24).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 3238036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).