5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide

C16H15BrN2O — CID 4879565

IUPAC5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1cncc(Br)c1
InChIInChI=1S/C16H15BrN2O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H,19,20)
InChIKeyZPXACHIUXSNLMG-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.65
Rot. Bonds2

About 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide

5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide (PubChem CID 4879565) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
PubChem CID4879565
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCCc2ccccc21)c1cncc(Br)c1
InChIInChI=1S/C16H15BrN2O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H,19,20)
InChIKeyZPXACHIUXSNLMG-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide (CID 4879565) is 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide is O=C(NC1CCCc2ccccc21)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?
The InChIKey is ZPXACHIUXSNLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-13-8-12(9-18-10-13)16(20)19-15-7-3-5-11-4-1-2-6-14(11)15/h1-2,4,6,8-10,15H,3,5,7H2,(H,19,20).
What are the key properties of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide?
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 4879565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).