6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine

C22H24N4O3S — CID 127249177

IUPAC6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccc(Nc4ccccn4)cn3)C2)cc1C
InChIInChI=1S/C22H24N4O3S/c1-16-6-8-19(13-17(16)2)30(27,28)26-11-12-29-21(15-26)20-9-7-18(14-24-20)25-22-5-3-4-10-23-22/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,23,25)
InChIKeyQEOIVFXSMKMCBI-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.60
Rot. Bonds5

About 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine

6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine (PubChem CID 127249177) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
PubChem CID127249177
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCOC(c3ccc(Nc4ccccn4)cn3)C2)cc1C
InChIInChI=1S/C22H24N4O3S/c1-16-6-8-19(13-17(16)2)30(27,28)26-11-12-29-21(15-26)20-9-7-18(14-24-20)25-22-5-3-4-10-23-22/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,23,25)
InChIKeyQEOIVFXSMKMCBI-UHFFFAOYSA-N
XLogP3.60
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 127249216
N,N-dimethyl-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-sulfonamide
CID 127249076
6-[(2R)-4-(1-methylimidazol-4-yl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124942643
N-pyridin-2-yl-6-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]pyridin-3-amine
CID 124994337
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
N-[6-[(2S)-4-(5-fluoro-2-methoxyphenyl)sulfonylmorpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 125023339
1-[4-[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 124976016
2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251822
N-methyl-6-[4-(1-methylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyridin-3-amine
CID 110272045
6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 124958285
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124967067

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
The IUPAC name of 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine (CID 127249177) is 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine.
What is the SMILES notation for 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
The canonical SMILES for 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine is Cc1ccc(S(=O)(=O)N2CCOC(c3ccc(Nc4ccccn4)cn3)C2)cc1C.
What is the InChIKey of 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
The InChIKey is QEOIVFXSMKMCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-16-6-8-19(13-17(16)2)30(27,28)26-11-12-29-21(15-26)20-9-7-18(14-24-20)25-22-5-3-4-10-23-22/h3-10,13-14,21H,11-12,15H2,1-2H3,(H,23,25).
What are the key properties of 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine?
6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine has a molecular weight of 424.53 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-pyridin-2-ylpyridin-3-amine is sourced from PubChem (CID 127249177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).