2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide

C18H12Br2N4O2 — CID 35828938

IUPAC2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1ccncc1)c1cc(Br)c(C(=O)Nc2ccncc2)cc1Br
InChIInChI=1S/C18H12Br2N4O2/c19-15-10-14(18(26)24-12-3-7-22-8-4-12)16(20)9-13(15)17(25)23-11-1-5-21-6-2-11/h1-10H,(H,21,23,25)(H,22,24,26)
InChIKeyYKHOYZXXSAPDEZ-UHFFFAOYSA-N
MW476.13 g/mol
LogP4.51
Rot. Bonds4

About 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide

2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide (PubChem CID 35828938) has the molecular formula C18H12Br2N4O2 and a molecular weight of 476.13 g/mol. Its IUPAC name is 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
PubChem CID35828938
Molecular FormulaC18H12Br2N4O2
Molecular Weight476.13 g/mol
Exact Mass473.93
IUPAC Name2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
SMILESO=C(Nc1ccncc1)c1cc(Br)c(C(=O)Nc2ccncc2)cc1Br
InChIInChI=1S/C18H12Br2N4O2/c19-15-10-14(18(26)24-12-3-7-22-8-4-12)16(20)9-13(15)17(25)23-11-1-5-21-6-2-11/h1-10H,(H,21,23,25)(H,22,24,26)
InChIKeyYKHOYZXXSAPDEZ-UHFFFAOYSA-N
XLogP4.51
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.13
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-fluoro-N-pyridin-4-ylbenzamide
CID 24689645
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 32896855
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
2-bromo-3-methyl-N-pyridin-4-ylbenzamide
CID 103852962
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide?
The IUPAC name of 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide (CID 35828938) is 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide?
The canonical SMILES for 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide is O=C(Nc1ccncc1)c1cc(Br)c(C(=O)Nc2ccncc2)cc1Br.
What is the InChIKey of 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide?
The InChIKey is YKHOYZXXSAPDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2N4O2/c19-15-10-14(18(26)24-12-3-7-22-8-4-12)16(20)9-13(15)17(25)23-11-1-5-21-6-2-11/h1-10H,(H,21,23,25)(H,22,24,26).
What are the key properties of 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide?
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide has a molecular weight of 476.13 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 35828938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).