5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine

C22H32N6O2S — CID 133307271

IUPAC5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C22H32N6O2S/c1-19(18-26-13-15-27(16-14-26)22-7-3-4-10-23-22)25-21-9-8-20(17-24-21)31(29,30)28-11-5-2-6-12-28/h3-4,7-10,17,19H,2,5-6,11-16,18H2,1H3,(H,24,25)
InChIKeyWDNVIUSWBQPOAB-UHFFFAOYSA-N
MW444.61 g/mol
LogP2.27
Rot. Bonds7

About 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine

5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine (PubChem CID 133307271) has the molecular formula C22H32N6O2S and a molecular weight of 444.61 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
PubChem CID133307271
Molecular FormulaC22H32N6O2S
Molecular Weight444.61 g/mol
Exact Mass444.23
IUPAC Name5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine
SMILESCC(CN1CCN(c2ccccn2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1
InChIInChI=1S/C22H32N6O2S/c1-19(18-26-13-15-27(16-14-26)22-7-3-4-10-23-22)25-21-9-8-20(17-24-21)31(29,30)28-11-5-2-6-12-28/h3-4,7-10,17,19H,2,5-6,11-16,18H2,1H3,(H,24,25)
InChIKeyWDNVIUSWBQPOAB-UHFFFAOYSA-N
XLogP2.27
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.61
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133293070
N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133307275
(2R)-1-[4-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-2-ol
CID 133486332
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
N-[(2R)-4-phenylbutan-2-yl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2485199
2-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-1,3-thiazole-5-sulfonamide
CID 133307208
6-methylsulfanyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridazin-3-amine
CID 133307184
N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899
6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339849
N-propan-2-yl-2-[4-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 55370178
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine?
The IUPAC name of 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine (CID 133307271) is 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine is CC(CN1CCN(c2ccccn2)CC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cn1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine?
The InChIKey is WDNVIUSWBQPOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2S/c1-19(18-26-13-15-27(16-14-26)22-7-3-4-10-23-22)25-21-9-8-20(17-24-21)31(29,30)28-11-5-2-6-12-28/h3-4,7-10,17,19H,2,5-6,11-16,18H2,1H3,(H,24,25).
What are the key properties of 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine?
5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine has a molecular weight of 444.61 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyridin-2-amine is sourced from PubChem (CID 133307271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).