N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide

C23H21N5OS — CID 143178480

IUPACN-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide
SMILESCS(=O)Nc1cccc(C(c2ccccn2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C23H21N5OS/c1-30(29)28-21-11-4-10-20(27-21)23(19-9-2-3-14-26-19)22(17-7-5-12-24-15-17)18-8-6-13-25-16-18/h2-16,22-23H,1H3,(H,27,28)
InChIKeyAIEWYKYJZKQIHB-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.94
Rot. Bonds7

About N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide

N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide (PubChem CID 143178480) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide.

Molecular Properties

Compound NameN-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide
PubChem CID143178480
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC NameN-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide
SMILESCS(=O)Nc1cccc(C(c2ccccn2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C23H21N5OS/c1-30(29)28-21-11-4-10-20(27-21)23(19-9-2-3-14-26-19)22(17-7-5-12-24-15-17)18-8-6-13-25-16-18/h2-16,22-23H,1H3,(H,27,28)
InChIKeyAIEWYKYJZKQIHB-UHFFFAOYSA-N
XLogP3.94
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide 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-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-1-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
CID 11619562
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
methyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
CID 91421264
(S)-pyridin-2-yl(pyridin-3-yl)methanamine
CID 86315357
(S)-pyridin-2-yl(pyridin-3-yl)methanol
CID 86315351
N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
CID 11676868
6-[2-(6-amino-2-pyridinyl)-1,2-dipyridin-3-ylethyl]pyridin-2-amine
CID 11639243
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
tert-butyl N-[6-(1-morpholin-4-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]carbamate
CID 90939785
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
6-[1-(6-amino-2-pyridinyl)-2-phenyl-2-pyridin-2-ylethyl]pyridin-2-amine
CID 11632046
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide?
The IUPAC name of N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide (CID 143178480) is N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide.
What is the SMILES notation for N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide?
The canonical SMILES for N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide is CS(=O)Nc1cccc(C(c2ccccn2)C(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide?
The InChIKey is AIEWYKYJZKQIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-30(29)28-21-11-4-10-20(27-21)23(19-9-2-3-14-26-19)22(17-7-5-12-24-15-17)18-8-6-13-25-16-18/h2-16,22-23H,1H3,(H,27,28).
What are the key properties of N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide?
N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide has a molecular weight of 415.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-2-pyridinyl]methanesulfinamide is sourced from PubChem (CID 143178480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).