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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Related Compounds

N,N-diethyl-2-[(3S)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95813548
4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine
CID 95814484
N-[6-[(3R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 95813639
6-methyl-N-[6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 95835761
N-(6-methyl-2-pyridinyl)-5-[(3R)-1-propan-2-ylsulfonylpiperidin-3-yl]pyrazin-2-amine
CID 95823846
1-[2-[3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 110252308
N-[6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110252370
(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
CID 7026078
(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95813591
1-[(3R)-3-[5-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 95813784
1-ethyl-3-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrazole-4-sulfonamide
CID 27526282
2-[[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methyl]-6-methylpyridine
CID 125026192

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).