6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide

C20H22N6O3S — CID 110254342

IUPAC6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3cccc(C(=O)Nc4ccccn4)n3)C2)c1
InChIInChI=1S/C20H22N6O3S/c1-25-13-19(22-14-25)30(28,29)26-11-5-6-15(12-26)16-7-4-8-17(23-16)20(27)24-18-9-2-3-10-21-18/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,21,24,27)
InChIKeyCLEFPQBSLOMQPJ-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.03
Rot. Bonds5

About 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide

6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 110254342) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID110254342
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3cccc(C(=O)Nc4ccccn4)n3)C2)c1
InChIInChI=1S/C20H22N6O3S/c1-25-13-19(22-14-25)30(28,29)26-11-5-6-15(12-26)16-7-4-8-17(23-16)20(27)24-18-9-2-3-10-21-18/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,21,24,27)
InChIKeyCLEFPQBSLOMQPJ-UHFFFAOYSA-N
XLogP2.03
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide (CID 110254342) is 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC(c3cccc(C(=O)Nc4ccccn4)n3)C2)c1.
What is the InChIKey of 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is CLEFPQBSLOMQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-25-13-19(22-14-25)30(28,29)26-11-5-6-15(12-26)16-7-4-8-17(23-16)20(27)24-18-9-2-3-10-21-18/h2-4,7-10,13-15H,5-6,11-12H2,1H3,(H,21,24,27).
What are the key properties of 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide?
6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 110254342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).