2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide

C12H10BrN3O — CID 103755964

IUPAC2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cncc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C12H10BrN3O/c1-8-4-10(7-14-6-8)16-12(17)9-2-3-15-11(13)5-9/h2-7H,1H3,(H,16,17)
InChIKeyJHBWGZQVYFXCJF-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.80
Rot. Bonds2

About 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide

2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 103755964) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID103755964
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCc1cncc(NC(=O)c2ccnc(Br)c2)c1
InChIInChI=1S/C12H10BrN3O/c1-8-4-10(7-14-6-8)16-12(17)9-2-3-15-11(13)5-9/h2-7H,1H3,(H,16,17)
InChIKeyJHBWGZQVYFXCJF-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 107586635
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
4-fluoro-3-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 103738924
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068
2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114037403
4-hydrazinyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586745
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide (CID 103755964) is 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide is Cc1cncc(NC(=O)c2ccnc(Br)c2)c1.
What is the InChIKey of 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is JHBWGZQVYFXCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-8-4-10(7-14-6-8)16-12(17)9-2-3-15-11(13)5-9/h2-7H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 103755964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).