N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide

C16H11BrN2O — CID 103819240

IUPACN-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cccnc1Br)c1cccc2ccccc12
InChIInChI=1S/C16H11BrN2O/c17-15-14(9-4-10-18-15)19-16(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,19,20)
InChIKeyJXXABRVPYUEVAQ-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.25
Rot. Bonds2

About N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide

N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide (PubChem CID 103819240) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
PubChem CID103819240
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC NameN-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cccnc1Br)c1cccc2ccccc12
InChIInChI=1S/C16H11BrN2O/c17-15-14(9-4-10-18-15)19-16(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,19,20)
InChIKeyJXXABRVPYUEVAQ-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.25
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

N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
3-(naphthalen-1-ylcarbamoyl)pyridine-2-carboxylic acid
CID 71396226
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
N-(2-hydroxypropyl)-3-(naphthalene-1-carbonylamino)pyridine-2-carboxamide
CID 11595469
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
N-(2-bromo-3-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103819199

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide (CID 103819240) is N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide is O=C(Nc1cccnc1Br)c1cccc2ccccc12.
What is the InChIKey of N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide?
The InChIKey is JXXABRVPYUEVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-15-14(9-4-10-18-15)19-16(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H,(H,19,20).
What are the key properties of N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide?
N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)naphthalene-1-carboxamide is sourced from PubChem (CID 103819240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).