N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine

C20H28N6O2S — CID 133281117

IUPACN-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
SMILESCN(c1ccc(S(=O)(=O)N2CCCCC2)cn1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C20H28N6O2S/c1-24(17-7-6-12-25(16-17)20-8-5-11-22-23-20)19-10-9-18(15-21-19)29(27,28)26-13-3-2-4-14-26/h5,8-11,15,17H,2-4,6-7,12-14,16H2,1H3
InChIKeyYOHWGFLSIJKNGD-UHFFFAOYSA-N
MW416.55 g/mol
LogP2.15
Rot. Bonds5

About N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine

N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine (PubChem CID 133281117) has the molecular formula C20H28N6O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
PubChem CID133281117
Molecular FormulaC20H28N6O2S
Molecular Weight416.55 g/mol
Exact Mass416.20
IUPAC NameN-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
SMILESCN(c1ccc(S(=O)(=O)N2CCCCC2)cn1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C20H28N6O2S/c1-24(17-7-6-12-25(16-17)20-8-5-11-22-23-20)19-10-9-18(15-21-19)29(27,28)26-13-3-2-4-14-26/h5,8-11,15,17H,2-4,6-7,12-14,16H2,1H3
InChIKeyYOHWGFLSIJKNGD-UHFFFAOYSA-N
XLogP2.15
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine with MolForge

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Related Compounds

N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
N-methyl-N-(4-methylcyclohexyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 78805459
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
CID 133379059
N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 167988818
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
CID 133281180
5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 133281186
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443297
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N-methyl-1-pyridazin-3-ylpiperidin-3-amine
CID 133281109
2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 133281136

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine?
The IUPAC name of N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine (CID 133281117) is N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine is CN(c1ccc(S(=O)(=O)N2CCCCC2)cn1)C1CCCN(c2cccnn2)C1.
What is the InChIKey of N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine?
The InChIKey is YOHWGFLSIJKNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2S/c1-24(17-7-6-12-25(16-17)20-8-5-11-22-23-20)19-10-9-18(15-21-19)29(27,28)26-13-3-2-4-14-26/h5,8-11,15,17H,2-4,6-7,12-14,16H2,1H3.
What are the key properties of N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine?
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine has a molecular weight of 416.55 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 133281117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).