N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide

C16H11BrN2O — CID 792421

IUPACN-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc2ccccc2c1
InChIInChI=1S/C16H11BrN2O/c17-14-7-8-15(18-10-14)19-16(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19,20)
InChIKeyFPBSNXMFWTYWOZ-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.25
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide

N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide (PubChem CID 792421) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide
PubChem CID792421
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC NameN-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc2ccccc2c1
InChIInChI=1S/C16H11BrN2O/c17-14-7-8-15(18-10-14)19-16(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19,20)
InChIKeyFPBSNXMFWTYWOZ-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

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide (CID 792421) is N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide is O=C(Nc1ccc(Br)cn1)c1ccc2ccccc2c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide?
The InChIKey is FPBSNXMFWTYWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-14-7-8-15(18-10-14)19-16(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19,20).
What are the key properties of N-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide?
N-(5-bromo-2-pyridinyl)naphthalene-2-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-(5-bromo-2-pyridinyl)naphthalene-2-carboxamide is sourced from PubChem (CID 792421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).