1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide

C18H12Br2N4O2 — CID 1102249

IUPAC1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cccc(C(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C18H12Br2N4O2/c19-13-4-6-15(21-9-13)23-17(25)11-2-1-3-12(8-11)18(26)24-16-7-5-14(20)10-22-16/h1-10H,(H,21,23,25)(H,22,24,26)
InChIKeyNARMWKFLQAUJPR-UHFFFAOYSA-N
MW476.13 g/mol
LogP4.51
Rot. Bonds4

About 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide

1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide (PubChem CID 1102249) has the molecular formula C18H12Br2N4O2 and a molecular weight of 476.13 g/mol. Its IUPAC name is 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide
PubChem CID1102249
Molecular FormulaC18H12Br2N4O2
Molecular Weight476.13 g/mol
Exact Mass473.93
IUPAC Name1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1cccc(C(=O)Nc2ccc(Br)cn2)c1
InChIInChI=1S/C18H12Br2N4O2/c19-13-4-6-15(21-9-13)23-17(25)11-2-1-3-12(8-11)18(26)24-16-7-5-14(20)10-22-16/h1-10H,(H,21,23,25)(H,22,24,26)
InChIKeyNARMWKFLQAUJPR-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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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide (CID 1102249) is 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide is O=C(Nc1ccc(Br)cn1)c1cccc(C(=O)Nc2ccc(Br)cn2)c1.
What is the InChIKey of 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide?
The InChIKey is NARMWKFLQAUJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2N4O2/c19-13-4-6-15(21-9-13)23-17(25)11-2-1-3-12(8-11)18(26)24-16-7-5-14(20)10-22-16/h1-10H,(H,21,23,25)(H,22,24,26).
What are the key properties of 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide?
1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-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 1-N,3-N-bis(5-bromo-2-pyridinyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 1102249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).