2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide

C14H13Br2N3O — CID 103885438

IUPAC2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccncc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H13Br2N3O/c1-19(2)13-5-6-17-8-12(13)18-14(20)10-4-3-9(15)7-11(10)16/h3-8H,1-2H3,(H,18,20)
InChIKeyMWXYQCWNNPRRAK-UHFFFAOYSA-N
MW399.09 g/mol
LogP3.92
Rot. Bonds3

About 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide

2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide (PubChem CID 103885438) has the molecular formula C14H13Br2N3O and a molecular weight of 399.09 g/mol. Its IUPAC name is 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
PubChem CID103885438
Molecular FormulaC14H13Br2N3O
Molecular Weight399.09 g/mol
Exact Mass396.94
IUPAC Name2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
SMILESCN(C)c1ccncc1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C14H13Br2N3O/c1-19(2)13-5-6-17-8-12(13)18-14(20)10-4-3-9(15)7-11(10)16/h3-8H,1-2H3,(H,18,20)
InChIKeyMWXYQCWNNPRRAK-UHFFFAOYSA-N
XLogP3.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.09
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide
CID 65311874
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717969
N-(2,4-dibromophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442512
2-bromo-N-[5-bromo-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 103758959
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
CID 107903618
N-[5-bromo-2-(dimethylamino)phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860296
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
6-chloro-N-[4-(dimethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 55052253
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
N-[4-(dimethylamino)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 63049052

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide (CID 103885438) is 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide is CN(C)c1ccncc1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide?
The InChIKey is MWXYQCWNNPRRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3O/c1-19(2)13-5-6-17-8-12(13)18-14(20)10-4-3-9(15)7-11(10)16/h3-8H,1-2H3,(H,18,20).
What are the key properties of 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide?
2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide has a molecular weight of 399.09 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 103885438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).