2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide

C13H12BrN3O2 — CID 103752494

IUPAC2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccnc2Br)ccc1=O
InChIInChI=1S/C13H12BrN3O2/c1-2-17-8-9(5-6-11(17)18)16-13(19)10-4-3-7-15-12(10)14/h3-8H,2H2,1H3,(H,16,19)
InChIKeyGJQDRAHXGCXBKT-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.28
Rot. Bonds3

About 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide

2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 103752494) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
PubChem CID103752494
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccnc2Br)ccc1=O
InChIInChI=1S/C13H12BrN3O2/c1-2-17-8-9(5-6-11(17)18)16-13(19)10-4-3-7-15-12(10)14/h3-8H,2H2,1H3,(H,16,19)
InChIKeyGJQDRAHXGCXBKT-UHFFFAOYSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-6-oxo-3-pyridinyl)-2-(methylamino)benzamide
CID 61378041
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)benzamide
CID 60557012
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 103752138
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
2-bromo-N-[4-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 103754203
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
4-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 54867134
2-bromo-N-(4-carbamoylphenyl)pyridine-3-carboxamide
CID 103751776
2-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide
CID 61041355
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 167694658
2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide (CID 103752494) is 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide is CCn1cc(NC(=O)c2cccnc2Br)ccc1=O.
What is the InChIKey of 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is GJQDRAHXGCXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-2-17-8-9(5-6-11(17)18)16-13(19)10-4-3-7-15-12(10)14/h3-8H,2H2,1H3,(H,16,19).
What are the key properties of 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide?
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 322.16 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 103752494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).