5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide

C16H17BrN2O — CID 60628517

IUPAC5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-3-11(2)12-4-6-15(7-5-12)19-16(20)13-8-14(17)10-18-9-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyUSYLGGQFMZOTFT-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.61
Rot. Bonds4

About 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide

5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 60628517) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID60628517
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cncc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-3-11(2)12-4-6-15(7-5-12)19-16(20)13-8-14(17)10-18-9-13/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyUSYLGGQFMZOTFT-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
N-[4-[1-(2-aminoethylamino)-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23828305
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 993374
N-[4-[1-[[4-(aminomethyl)phenyl]methylamino]-1-oxopropan-2-yl]phenyl]-5-bromopyridine-3-carboxamide
CID 23770287
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
CID 4850845
N-(4-butan-2-ylphenyl)-6-chloropyridine-3-carboxamide
CID 4555488
5-bromo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 43064394

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide (CID 60628517) is 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide is CCC(C)c1ccc(NC(=O)c2cncc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is USYLGGQFMZOTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-3-11(2)12-4-6-15(7-5-12)19-16(20)13-8-14(17)10-18-9-13/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide?
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 60628517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).