6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

C22H34N6O2S — CID 133336161

IUPAC6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCc1cc(N2CCC(Nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)nc(C)n1
InChIInChI=1S/C22H34N6O2S/c1-15(2)28(16(3)4)31(29,30)20-7-8-21(23-14-20)26-19-9-11-27(12-10-19)22-13-17(5)24-18(6)25-22/h7-8,13-16,19H,9-12H2,1-6H3,(H,23,26)
InChIKeySRFFDEGQDMBDPY-UHFFFAOYSA-N
MW446.62 g/mol
LogP3.38
Rot. Bonds7

About 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (PubChem CID 133336161) has the molecular formula C22H34N6O2S and a molecular weight of 446.62 g/mol. Its IUPAC name is 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
PubChem CID133336161
Molecular FormulaC22H34N6O2S
Molecular Weight446.62 g/mol
Exact Mass446.25
IUPAC Name6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCc1cc(N2CCC(Nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)nc(C)n1
InChIInChI=1S/C22H34N6O2S/c1-15(2)28(16(3)4)31(29,30)20-7-8-21(23-14-20)26-19-9-11-27(12-10-19)22-13-17(5)24-18(6)25-22/h7-8,13-16,19H,9-12H2,1-6H3,(H,23,26)
InChIKeySRFFDEGQDMBDPY-UHFFFAOYSA-N
XLogP3.38
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
6-(cyclohex-3-en-1-ylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 133322671
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 5303878
4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 163326768
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 154744321
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-nitropyridin-2-amine
CID 133336336
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (CID 133336161) is 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is Cc1cc(N2CCC(Nc3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)CC2)nc(C)n1.
What is the InChIKey of 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The InChIKey is SRFFDEGQDMBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O2S/c1-15(2)28(16(3)4)31(29,30)20-7-8-21(23-14-20)26-19-9-11-27(12-10-19)22-13-17(5)24-18(6)25-22/h7-8,13-16,19H,9-12H2,1-6H3,(H,23,26).
What are the key properties of 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide has a molecular weight of 446.62 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 133336161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).