5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide

C13H10Br2ClN3O — CID 114922872

IUPAC5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cc(Br)ccc2Br)c(Cl)cn1
InChIInChI=1S/C13H10Br2ClN3O/c1-17-12-5-8(10(16)6-18-12)13(20)19-11-4-7(14)2-3-9(11)15/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyYBBJLYBKVKJXAY-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.55
Rot. Bonds3

About 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114922872) has the molecular formula C13H10Br2ClN3O and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114922872
Molecular FormulaC13H10Br2ClN3O
Molecular Weight419.50 g/mol
Exact Mass416.89
IUPAC Name5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cc(Br)ccc2Br)c(Cl)cn1
InChIInChI=1S/C13H10Br2ClN3O/c1-17-12-5-8(10(16)6-18-12)13(20)19-11-4-7(14)2-3-9(11)15/h2-6H,1H3,(H,17,18)(H,19,20)
InChIKeyYBBJLYBKVKJXAY-UHFFFAOYSA-N
XLogP4.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-chlorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922117
N-(2-bromophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114921871
N-(2-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922037
5-chloro-N-(2,4-dibromophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923151
N-(3-bromo-4-fluorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924481
N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 55046905
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
N-(5-bromo-2-chlorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62908966
5-chloro-2-(methylamino)-N-(2-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 114923981
5-chloro-N-(3,4-dichlorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921560
2-chloro-N-(2,5-dibromophenyl)-5-hydroxybenzamide
CID 106501529
5-chloro-N-(3-chloro-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 103094800

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide (CID 114922872) is 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2cc(Br)ccc2Br)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is YBBJLYBKVKJXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClN3O/c1-17-12-5-8(10(16)6-18-12)13(20)19-11-4-7(14)2-3-9(11)15/h2-6H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,5-dibromophenyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).