5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide

C21H19BrN2O — CID 129274026

IUPAC5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide
SMILESCCCc1c(NC(=O)c2ccc(Br)cn2)cccc1-c1ccccc1
InChIInChI=1S/C21H19BrN2O/c1-2-7-18-17(15-8-4-3-5-9-15)10-6-11-19(18)24-21(25)20-13-12-16(22)14-23-20/h3-6,8-14H,2,7H2,1H3,(H,24,25)
InChIKeyMCNNEQKAJFEQQR-UHFFFAOYSA-N
MW395.30 g/mol
LogP5.72
Rot. Bonds5

About 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide

5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide (PubChem CID 129274026) has the molecular formula C21H19BrN2O and a molecular weight of 395.30 g/mol. Its IUPAC name is 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide
PubChem CID129274026
Molecular FormulaC21H19BrN2O
Molecular Weight395.30 g/mol
Exact Mass394.07
IUPAC Name5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide
SMILESCCCc1c(NC(=O)c2ccc(Br)cn2)cccc1-c1ccccc1
InChIInChI=1S/C21H19BrN2O/c1-2-7-18-17(15-8-4-3-5-9-15)10-6-11-19(18)24-21(25)20-13-12-16(22)14-23-20/h3-6,8-14H,2,7H2,1H3,(H,24,25)
InChIKeyMCNNEQKAJFEQQR-UHFFFAOYSA-N
XLogP5.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.30
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 62953356
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 62954887
5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
CID 62952857
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340903
tert-butyl 2-[(5-bromopyridine-2-carbonyl)amino]-4-phenylbenzoate
CID 58508787
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
N-(2,1,3-benzoselenadiazol-4-yl)-5-bromopyridine-2-carboxamide
CID 62955088
2-[(5-bromopyridine-2-carbonyl)amino]-2-methylpentanoic acid
CID 62958243
5-bromo-N-[2-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 62958811
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
5-bromo-N-pyrimidin-2-ylpyridine-2-carboxamide
CID 62952846
N-[8-(4-bromophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659560

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide (CID 129274026) is 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide is CCCc1c(NC(=O)c2ccc(Br)cn2)cccc1-c1ccccc1.
What is the InChIKey of 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide?
The InChIKey is MCNNEQKAJFEQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O/c1-2-7-18-17(15-8-4-3-5-9-15)10-6-11-19(18)24-21(25)20-13-12-16(22)14-23-20/h3-6,8-14H,2,7H2,1H3,(H,24,25).
What are the key properties of 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide?
5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide has a molecular weight of 395.30 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-phenyl-2-propylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 129274026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).