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

C23H26N4O3S — CID 95834277

IUPACN-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1
InChIInChI=1S/C23H26N4O3S/c1-17-6-5-13-24-23(17)26-19-9-10-20(25-16-19)18-11-14-27(15-12-18)31(28,29)22-8-4-3-7-21(22)30-2/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,24,26)
InChIKeyOSFOYRSFBDSSGG-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.11
Rot. Bonds6

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

N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine (PubChem CID 95834277) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine
PubChem CID95834277
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1
InChIInChI=1S/C23H26N4O3S/c1-17-6-5-13-24-23(17)26-19-9-10-20(25-16-19)18-11-14-27(15-12-18)31(28,29)22-8-4-3-7-21(22)30-2/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,24,26)
InChIKeyOSFOYRSFBDSSGG-UHFFFAOYSA-N
XLogP4.11
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidine-1-sulfonamide
CID 95834146
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-(2-methoxyphenyl)sulfonylpiperidine
CID 90495592
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95834159
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 125023339
1-(2-methoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714166
N-(1,3-benzothiazol-5-yl)-1-(2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 162522988
2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813471
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650
6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835623
3-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 121061006
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
5-[(3S)-1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346859

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine (CID 95834277) is N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine is COc1ccccc1S(=O)(=O)N1CCC(c2ccc(Nc3ncccc3C)cn2)CC1.
What is the InChIKey of N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine?
The InChIKey is OSFOYRSFBDSSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-17-6-5-13-24-23(17)26-19-9-10-20(25-16-19)18-11-14-27(15-12-18)31(28,29)22-8-4-3-7-21(22)30-2/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine?
N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine has a molecular weight of 438.55 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]-3-pyridinyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 95834277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).