N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine

C15H17F2N3O2S — CID 159537854

IUPACN-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(NCC(C)(F)F)cn1
InChIInChI=1S/C15H17F2N3O2S/c1-3-23(21,22)13-5-4-8-18-14(13)12-7-6-11(9-19-12)20-10-15(2,16)17/h4-9,20H,3,10H2,1-2H3
InChIKeyMDVAHABYUBASTC-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.00
Rot. Bonds6

About N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine

N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine (PubChem CID 159537854) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine
PubChem CID159537854
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC NameN-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine
SMILESCCS(=O)(=O)c1cccnc1-c1ccc(NCC(C)(F)F)cn1
InChIInChI=1S/C15H17F2N3O2S/c1-3-23(21,22)13-5-4-8-18-14(13)12-7-6-11(9-19-12)20-10-15(2,16)17/h4-9,20H,3,10H2,1-2H3
InChIKeyMDVAHABYUBASTC-UHFFFAOYSA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-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

2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
CID 134166732
3-(3-ethylsulfonyl-2-pyridinyl)-6-phenylpyridazine
CID 138603848
3-(3-ethylsulfonyl-2-pyridinyl)-6-(2,2,2-trichloroethoxy)pyridazine
CID 129177650
5-(3-ethylsulfonyl-2-pyridinyl)-1-(2,2,3,3,3-pentafluoropropyl)pyrrolo[2,3-c]pyridine
CID 155102053
3-(3-ethylsulfonyl-2-pyridinyl)-1-oxido-6-(2,2,3,3,3-pentafluoropropoxy)pyridazin-1-ium
CID 129177644
3-ethylsulfonyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine
CID 126736116
6-(3-ethylsulfonyl-2-pyridinyl)-3-(2,2,3,3,4,4,5,5-octafluoropentyl)pyrimidin-4-one
CID 121264763
3-(2,2-difluoropropoxy)-6-(3-ethylsulfonyl-2-pyridinyl)-5-methyl-1H-pyridazin-2-ium 2-oxide
CID 158344234
2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 90327224
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
6-chloro-2-[5-(2,2-difluoropropoxy)-2-pyridinyl]-3-ethylsulfonylpyridine
CID 134166741
N,N-diethyl-3-ethylsulfonylpyridin-2-amine
CID 117062133

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine?
The IUPAC name of N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine (CID 159537854) is N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine.
What is the SMILES notation for N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine?
The canonical SMILES for N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine is CCS(=O)(=O)c1cccnc1-c1ccc(NCC(C)(F)F)cn1.
What is the InChIKey of N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine?
The InChIKey is MDVAHABYUBASTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-3-23(21,22)13-5-4-8-18-14(13)12-7-6-11(9-19-12)20-10-15(2,16)17/h4-9,20H,3,10H2,1-2H3.
What are the key properties of N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine?
N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine has a molecular weight of 341.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-6-(3-ethylsulfonyl-2-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 159537854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).