N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide

C12H17N3O4S — CID 43629351

IUPACN-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H17N3O4S/c1-13-12(17)9-4-6-15(7-5-9)20(18,19)10-2-3-11(16)14-8-10/h2-3,8-9H,4-7H2,1H3,(H,13,17)(H,14,16)
InChIKeyWPKGHIDJNBSGOV-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.48
Rot. Bonds3

About N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide

N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 43629351) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID43629351
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H17N3O4S/c1-13-12(17)9-4-6-15(7-5-9)20(18,19)10-2-3-11(16)14-8-10/h2-3,8-9H,4-7H2,1H3,(H,13,17)(H,14,16)
InChIKeyWPKGHIDJNBSGOV-UHFFFAOYSA-N
XLogP-0.48
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide (CID 43629351) is N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is WPKGHIDJNBSGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-13-12(17)9-4-6-15(7-5-9)20(18,19)10-2-3-11(16)14-8-10/h2-3,8-9H,4-7H2,1H3,(H,13,17)(H,14,16).
What are the key properties of N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide?
N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 299.35 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 43629351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).