N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide

C15H15BrN2O2 — CID 47124570

IUPACN-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cn1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-3-6-13(16)7-4-11)18-15(19)12-5-8-14(20-2)17-9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyQXYMZHGLCBRRGB-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide

N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide (PubChem CID 47124570) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
PubChem CID47124570
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cn1
InChIInChI=1S/C15H15BrN2O2/c1-10(11-3-6-13(16)7-4-11)18-15(19)12-5-8-14(20-2)17-9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyQXYMZHGLCBRRGB-UHFFFAOYSA-N
XLogP3.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 66463293
6-methoxy-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 24645455
N-[1-(4-bromophenyl)ethyl]pyridazine-4-carboxamide
CID 112705396
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
6-methoxy-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 124755292
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[1-(2,4-difluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 17494652
(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93310081

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide (CID 47124570) is N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NC(C)c2ccc(Br)cc2)cn1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is QXYMZHGLCBRRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10(11-3-6-13(16)7-4-11)18-15(19)12-5-8-14(20-2)17-9-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide?
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 47124570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).