2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide

C31H29N9O6S2 — CID 4054283

IUPAC2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)n3)cc2)n1
InChIInChI=1S/C31H29N9O6S2/c1-18-16-19(2)33-30(32-18)39-47(43,44)24-12-8-22(9-13-24)36-28(41)26-6-5-7-27(38-26)29(42)37-23-10-14-25(15-11-23)48(45,46)40-31-34-20(3)17-21(4)35-31/h5-17H,1-4H3,(H,36,41)(H,37,42)(H,32,33,39)(H,34,35,40)
InChIKeyDAURHFLLWOYMJY-UHFFFAOYSA-N
MW687.76 g/mol
LogP4.00
Rot. Bonds10

About 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide (PubChem CID 4054283) has the molecular formula C31H29N9O6S2 and a molecular weight of 687.76 g/mol. Its IUPAC name is 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
PubChem CID4054283
Molecular FormulaC31H29N9O6S2
Molecular Weight687.76 g/mol
Exact Mass687.17
IUPAC Name2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)n3)cc2)n1
InChIInChI=1S/C31H29N9O6S2/c1-18-16-19(2)33-30(32-18)39-47(43,44)24-12-8-22(9-13-24)36-28(41)26-6-5-7-27(38-26)29(42)37-23-10-14-25(15-11-23)48(45,46)40-31-34-20(3)17-21(4)35-31/h5-17H,1-4H3,(H,36,41)(H,37,42)(H,32,33,39)(H,34,35,40)
InChIKeyDAURHFLLWOYMJY-UHFFFAOYSA-N
XLogP4.00
TPSA214.99 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.76
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 1010695
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791702
methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 1187341
2-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-iodobenzamide
CID 43914888
4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 1106551
3-(2,6-dichlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 4110930
(E)-3-(2,6-dichlorophenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 6012467
3,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 18848606
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide (CID 4054283) is 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C(=O)Nc4ccc(S(=O)(=O)Nc5nc(C)cc(C)n5)cc4)n3)cc2)n1.
What is the InChIKey of 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is DAURHFLLWOYMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N9O6S2/c1-18-16-19(2)33-30(32-18)39-47(43,44)24-12-8-22(9-13-24)36-28(41)26-6-5-7-27(38-26)29(42)37-23-10-14-25(15-11-23)48(45,46)40-31-34-20(3)17-21(4)35-31/h5-17H,1-4H3,(H,36,41)(H,37,42)(H,32,33,39)(H,34,35,40).
What are the key properties of 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 687.76 g/mol, XLogP of 4.00, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 4054283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).