2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide

C15H15BrN2O — CID 103754299

IUPAC2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-3-5-12(6-4-10)11(2)18-15(19)13-7-8-17-14(16)9-13/h3-9,11H,1-2H3,(H,18,19)
InChIKeyBYGVJJAVLBPGSF-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.64
Rot. Bonds3

About 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide

2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 103754299) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID103754299
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2ccnc(Br)c2)cc1
InChIInChI=1S/C15H15BrN2O/c1-10-3-5-12(6-4-10)11(2)18-15(19)13-7-8-17-14(16)9-13/h3-9,11H,1-2H3,(H,18,19)
InChIKeyBYGVJJAVLBPGSF-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[1-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 113255496
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 103754324
2-bromo-N-butan-2-ylpyridine-4-carboxamide
CID 103751691
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
CID 103752003
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873
2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 55041957
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide (CID 103754299) is 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide is Cc1ccc(C(C)NC(=O)c2ccnc(Br)c2)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is BYGVJJAVLBPGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-3-5-12(6-4-10)11(2)18-15(19)13-7-8-17-14(16)9-13/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide?
2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 103754299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).