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

C15H15BrN2O — CID 107519142

IUPAC3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccccc1CCNC(=O)c1ncccc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-5-2-3-6-12(11)8-10-18-15(19)14-13(16)7-4-9-17-14/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyQZDFFZYGEBYYPP-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.13
Rot. Bonds4

About 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide

3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 107519142) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID107519142
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide
SMILESCc1ccccc1CCNC(=O)c1ncccc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-5-2-3-6-12(11)8-10-18-15(19)14-13(16)7-4-9-17-14/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyQZDFFZYGEBYYPP-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
3-bromo-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 107518048
3-bromo-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 107517966
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
1-(2-bromophenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52590743
3-bromo-N-(4-iodobutyl)pyridine-2-carboxamide
CID 107526349
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
3-bromo-N-(2-oxopropyl)pyridine-2-carboxamide
CID 107517564
3-bromo-N-(3-methyl-2-oxobutyl)pyridine-2-carboxamide
CID 107517566
3-bromo-N-(6-hydroxyhexyl)pyridine-2-carboxamide
CID 107843919
3-bromo-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107519204
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide (CID 107519142) is 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide is Cc1ccccc1CCNC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is QZDFFZYGEBYYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-5-2-3-6-12(11)8-10-18-15(19)14-13(16)7-4-9-17-14/h2-7,9H,8,10H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide?
3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-methylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107519142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).