4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

C15H15BrN2O — CID 86695853

IUPAC4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(Br)ccn2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10(2)11-3-5-13(6-4-11)18-15(19)14-9-12(16)7-8-17-14/h3-10H,1-2H3,(H,18,19)
InChIKeyTYWJCYATLFSUBC-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.22
Rot. Bonds3

About 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 86695853) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID86695853
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(Br)ccn2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10(2)11-3-5-13(6-4-11)18-15(19)14-9-12(16)7-8-17-14/h3-10H,1-2H3,(H,18,19)
InChIKeyTYWJCYATLFSUBC-UHFFFAOYSA-N
XLogP4.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-methylphenyl)pyridine-2-carboxamide
CID 132587528
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109201983
4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109220451
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
4-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109219436
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
2-N-(2-chlorophenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092468
methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220466

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (CID 86695853) is 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccc(NC(=O)c2cc(Br)ccn2)cc1.
What is the InChIKey of 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is TYWJCYATLFSUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10(2)11-3-5-13(6-4-11)18-15(19)14-9-12(16)7-8-17-14/h3-10H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 86695853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).