3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide

C21H17Br2N3O2 — CID 56851222

IUPAC3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(Br)c2)cc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C21H17Br2N3O2/c1-12-18(20(27)25-16-7-3-5-14(22)9-16)11-19(13(2)24-12)21(28)26-17-8-4-6-15(23)10-17/h3-11H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWZRMIMOSOAVUSL-UHFFFAOYSA-N
MW503.19 g/mol
LogP5.73
Rot. Bonds4

About 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide

3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide (PubChem CID 56851222) has the molecular formula C21H17Br2N3O2 and a molecular weight of 503.19 g/mol. Its IUPAC name is 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
PubChem CID56851222
Molecular FormulaC21H17Br2N3O2
Molecular Weight503.19 g/mol
Exact Mass500.97
IUPAC Name3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(Br)c2)cc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C21H17Br2N3O2/c1-12-18(20(27)25-16-7-3-5-14(22)9-16)11-19(13(2)24-12)21(28)26-17-8-4-6-15(23)10-17/h3-11H,1-2H3,(H,25,27)(H,26,28)
InChIKeyWZRMIMOSOAVUSL-UHFFFAOYSA-N
XLogP5.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.19
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
N-(3-bromophenyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 112707523
N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576868
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
N-(3-bromophenyl)-2-methyl-3-nitrobenzamide
CID 799056

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide (CID 56851222) is 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide is Cc1nc(C)c(C(=O)Nc2cccc(Br)c2)cc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide?
The InChIKey is WZRMIMOSOAVUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2N3O2/c1-12-18(20(27)25-16-7-3-5-14(22)9-16)11-19(13(2)24-12)21(28)26-17-8-4-6-15(23)10-17/h3-11H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide?
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide has a molecular weight of 503.19 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 56851222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).