2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide

C16H15BrN2O — CID 103752146

IUPAC2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccnc(Br)c1
InChIInChI=1S/C16H15BrN2O/c17-15-10-12(8-9-18-15)16(20)19-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7-10H,1-2,4,6H2,(H,19,20)
InChIKeyFKNGZGOKLZVOQD-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.98
Rot. Bonds2

About 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide

2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide (PubChem CID 103752146) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
PubChem CID103752146
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc2c1CCCC2)c1ccnc(Br)c1
InChIInChI=1S/C16H15BrN2O/c17-15-10-12(8-9-18-15)16(20)19-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7-10H,1-2,4,6H2,(H,19,20)
InChIKeyFKNGZGOKLZVOQD-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 16545685
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26516166
3,5-diamino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 61092120
N-(5,6,7,8-tetrahydronaphthalen-1-yl)furan-3-carboxamide
CID 18169235
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
6-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62060497
2-[2-[(2-bromopyridine-4-carbonyl)amino]phenyl]acetic acid
CID 103803916
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
2-bromo-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
CID 103758980
4-hydrazinyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 62238146
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide (CID 103752146) is 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide is O=C(Nc1cccc2c1CCCC2)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide?
The InChIKey is FKNGZGOKLZVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-15-10-12(8-9-18-15)16(20)19-14-7-3-5-11-4-1-2-6-13(11)14/h3,5,7-10H,1-2,4,6H2,(H,19,20).
What are the key properties of 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide?
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103752146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).