5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride

C26H31Br2ClN8O4S2 — CID 167623379

IUPAC5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride
SMILESCN(C)c1ccc(-c2ncc(Br)cc2N)cn1.CN(C)c1ccc(-c2ncc(Br)cc2NS(C)(=O)=O)cn1.CS(=O)(=O)Cl
InChIInChI=1S/C13H15BrN4O2S.C12H13BrN4.CH3ClO2S/c1-18(2)12-5-4-9(7-15-12)13-11(17-21(3,19)20)6-10(14)8-16-13;1-17(2)11-4-3-8(6-15-11)12-10(14)5-9(13)7-16-12;1-5(2,3)4/h4-8,17H,1-3H3;3-7H,14H2,1-2H3;1H3
InChIKeyMTETVMYOWYGPKB-UHFFFAOYSA-N
MW778.98 g/mol
LogP5.08
Rot. Bonds6

About 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride

5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride (PubChem CID 167623379) has the molecular formula C26H31Br2ClN8O4S2 and a molecular weight of 778.98 g/mol. Its IUPAC name is 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride
PubChem CID167623379
Molecular FormulaC26H31Br2ClN8O4S2
Molecular Weight778.98 g/mol
Exact Mass776.00
IUPAC Name5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride
SMILESCN(C)c1ccc(-c2ncc(Br)cc2N)cn1.CN(C)c1ccc(-c2ncc(Br)cc2NS(C)(=O)=O)cn1.CS(=O)(=O)Cl
InChIInChI=1S/C13H15BrN4O2S.C12H13BrN4.CH3ClO2S/c1-18(2)12-5-4-9(7-15-12)13-11(17-21(3,19)20)6-10(14)8-16-13;1-17(2)11-4-3-8(6-15-11)12-10(14)5-9(13)7-16-12;1-5(2,3)4/h4-8,17H,1-3H3;3-7H,14H2,1-2H3;1H3
InChIKeyMTETVMYOWYGPKB-UHFFFAOYSA-N
XLogP5.08
TPSA164.37 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.98
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride?
The IUPAC name of 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride (CID 167623379) is 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride?
The canonical SMILES for 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride is CN(C)c1ccc(-c2ncc(Br)cc2N)cn1.CN(C)c1ccc(-c2ncc(Br)cc2NS(C)(=O)=O)cn1.CS(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride?
The InChIKey is MTETVMYOWYGPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S.C12H13BrN4.CH3ClO2S/c1-18(2)12-5-4-9(7-15-12)13-11(17-21(3,19)20)6-10(14)8-16-13;1-17(2)11-4-3-8(6-15-11)12-10(14)5-9(13)7-16-12;1-5(2,3)4/h4-8,17H,1-3H3;3-7H,14H2,1-2H3;1H3.
What are the key properties of 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride?
5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride has a molecular weight of 778.98 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[6-(dimethylamino)-3-pyridinyl]pyridin-3-amine;N-[5-bromo-2-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]methanesulfonamide;methanesulfonyl chloride is sourced from PubChem (CID 167623379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).