N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine

C22H28N6O2S — CID 110252348

IUPACN-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine
SMILESCCn1cc(S(=O)(=O)N2CCCC(c3ccc(Nc4cccc(C)n4)cn3)C2)c(C)n1
InChIInChI=1S/C22H28N6O2S/c1-4-27-15-21(17(3)26-27)31(29,30)28-12-6-8-18(14-28)20-11-10-19(13-23-20)25-22-9-5-7-16(2)24-22/h5,7,9-11,13,15,18H,4,6,8,12,14H2,1-3H3,(H,24,25)
InChIKeyXLGHAFZUEDTVEX-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.62
Rot. Bonds6

About N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine

N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine (PubChem CID 110252348) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine
PubChem CID110252348
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC NameN-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine
SMILESCCn1cc(S(=O)(=O)N2CCCC(c3ccc(Nc4cccc(C)n4)cn3)C2)c(C)n1
InChIInChI=1S/C22H28N6O2S/c1-4-27-15-21(17(3)26-27)31(29,30)28-12-6-8-18(14-28)20-11-10-19(13-23-20)25-22-9-5-7-16(2)24-22/h5,7,9-11,13,15,18H,4,6,8,12,14H2,1-3H3,(H,24,25)
InChIKeyXLGHAFZUEDTVEX-UHFFFAOYSA-N
XLogP3.62
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine (CID 110252348) is N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine is CCn1cc(S(=O)(=O)N2CCCC(c3ccc(Nc4cccc(C)n4)cn3)C2)c(C)n1.
What is the InChIKey of N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine?
The InChIKey is XLGHAFZUEDTVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-4-27-15-21(17(3)26-27)31(29,30)28-12-6-8-18(14-28)20-11-10-19(13-23-20)25-22-9-5-7-16(2)24-22/h5,7,9-11,13,15,18H,4,6,8,12,14H2,1-3H3,(H,24,25).
What are the key properties of N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine?
N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine has a molecular weight of 440.57 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 110252348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).