2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide

C15H11BrN4O — CID 62159599

IUPAC2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C15H11BrN4O/c16-10-6-12(14(17)19-8-10)15(21)20-13-3-1-2-9-7-18-5-4-11(9)13/h1-8H,(H2,17,19)(H,20,21)
InChIKeyKJKBLOVTHQKNDV-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.23
Rot. Bonds2

About 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide

2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide (PubChem CID 62159599) has the molecular formula C15H11BrN4O and a molecular weight of 343.18 g/mol. Its IUPAC name is 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide
PubChem CID62159599
Molecular FormulaC15H11BrN4O
Molecular Weight343.18 g/mol
Exact Mass342.01
IUPAC Name2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)Nc1cccc2cnccc12
InChIInChI=1S/C15H11BrN4O/c16-10-6-12(14(17)19-8-10)15(21)20-13-3-1-2-9-7-18-5-4-11(9)13/h1-8H,(H2,17,19)(H,20,21)
InChIKeyKJKBLOVTHQKNDV-UHFFFAOYSA-N
XLogP3.23
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-fluoro-N-isoquinolin-5-ylpyridine-4-carboxamide
CID 105385052
2-amino-5-chloro-N-isoquinolin-5-ylpyridine-4-carboxamide
CID 114922399
2-amino-5-bromo-N-(2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 79044111
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
2-amino-5-bromo-N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 55042996
N-isoquinolin-5-yl-2-methylbenzamide
CID 110483002
2-amino-5-bromo-N-(2,4-dibromophenyl)pyridine-3-carboxamide
CID 62187349
4,5-dibromo-N-isoquinolin-5-ylthiophene-2-carboxamide
CID 29371541
2-chloro-N-isoquinolin-5-ylfuran-3-carboxamide
CID 106685472
4-amino-3-fluoro-N-isoquinolin-5-ylbenzamide
CID 62677576
N-isoquinolin-5-yl-3,5-dimethoxybenzamide
CID 8763148
2-amino-5-bromo-N-(2-bromo-4-chlorophenyl)pyridine-3-carboxamide
CID 81275368

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide (CID 62159599) is 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)Nc1cccc2cnccc12.
What is the InChIKey of 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide?
The InChIKey is KJKBLOVTHQKNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O/c16-10-6-12(14(17)19-8-10)15(21)20-13-3-1-2-9-7-18-5-4-11(9)13/h1-8H,(H2,17,19)(H,20,21).
What are the key properties of 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide?
2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide has a molecular weight of 343.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-isoquinolin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 62159599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).