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

C16H15BrN2O — CID 62953418

IUPAC5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccc(Br)cn1
InChIInChI=1S/C16H15BrN2O/c17-13-6-8-15(18-10-13)16(20)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H,19,20)
InChIKeyBTDVEOFYXWBJEH-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.13
Rot. Bonds2

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

5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide (PubChem CID 62953418) 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-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
PubChem CID62953418
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccc(Br)cn1
InChIInChI=1S/C16H15BrN2O/c17-13-6-8-15(18-10-13)16(20)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H,19,20)
InChIKeyBTDVEOFYXWBJEH-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509717
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64743706
4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 62958596
N-(2,3-dihydro-1H-inden-2-yl)-5-hydrazinylpyridine-2-carboxamide
CID 114009488
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 70709515
5-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 107854445
2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 10199216
5-bromo-N-(1-tert-butylpiperidin-4-yl)pyridine-2-carboxamide
CID 62953534

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide (CID 62953418) is 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide is O=C(NC1CCc2ccccc2C1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide?
The InChIKey is BTDVEOFYXWBJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-13-6-8-15(18-10-13)16(20)19-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H,19,20).
What are the key properties of 5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide?
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.13, 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-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62953418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).