6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine

C19H27N5O2S — CID 133379059

IUPAC6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
SMILESCN(c1ccc(S(=O)(=O)C(C)(C)C)nc1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H27N5O2S/c1-19(2,3)27(25,26)18-10-9-15(13-20-18)23(4)16-7-6-12-24(14-16)17-8-5-11-21-22-17/h5,8-11,13,16H,6-7,12,14H2,1-4H3
InChIKeyDGAPEFZBDXWBLO-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.55
Rot. Bonds4

About 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine

6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine (PubChem CID 133379059) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
PubChem CID133379059
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
SMILESCN(c1ccc(S(=O)(=O)C(C)(C)C)nc1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H27N5O2S/c1-19(2,3)27(25,26)18-10-9-15(13-20-18)23(4)16-7-6-12-24(14-16)17-8-5-11-21-22-17/h5,8-11,13,16H,6-7,12,14H2,1-4H3
InChIKeyDGAPEFZBDXWBLO-UHFFFAOYSA-N
XLogP2.55
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine with MolForge

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Related Compounds

N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 119879672
5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 133281186
N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
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
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
CID 133281180
2-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-5-nitropyridine-3-carboxamide
CID 133281136

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine (CID 133379059) is 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine is CN(c1ccc(S(=O)(=O)C(C)(C)C)nc1)C1CCCN(c2cccnn2)C1.
What is the InChIKey of 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine?
The InChIKey is DGAPEFZBDXWBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-19(2,3)27(25,26)18-10-9-15(13-20-18)23(4)16-7-6-12-24(14-16)17-8-5-11-21-22-17/h5,8-11,13,16H,6-7,12,14H2,1-4H3.
What are the key properties of 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine?
6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine has a molecular weight of 389.53 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine is sourced from PubChem (CID 133379059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).