N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide

C14H11Br3N2O2 — CID 70416011

IUPACN-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)Oc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H11Br3N2O2/c1-8(19-14(20)9-3-2-4-18-7-9)21-13-11(16)5-10(15)6-12(13)17/h2-8H,1H3,(H,19,20)
InChIKeyFIOSVJXAVXMGRT-UHFFFAOYSA-N
MW478.97 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide

N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide (PubChem CID 70416011) has the molecular formula C14H11Br3N2O2 and a molecular weight of 478.97 g/mol. Its IUPAC name is N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide
PubChem CID70416011
Molecular FormulaC14H11Br3N2O2
Molecular Weight478.97 g/mol
Exact Mass475.84
IUPAC NameN-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1)Oc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H11Br3N2O2/c1-8(19-14(20)9-3-2-4-18-7-9)21-13-11(16)5-10(15)6-12(13)17/h2-8H,1H3,(H,19,20)
InChIKeyFIOSVJXAVXMGRT-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.97
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 100899430
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
CID 133220444
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
N-propan-2-yloxypyridine-3-carboxamide;hydrochloride
CID 3028390
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide (CID 70416011) is N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1)Oc1c(Br)cc(Br)cc1Br.
What is the InChIKey of N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is FIOSVJXAVXMGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3N2O2/c1-8(19-14(20)9-3-2-4-18-7-9)21-13-11(16)5-10(15)6-12(13)17/h2-8H,1H3,(H,19,20).
What are the key properties of N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide?
N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 478.97 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4,6-tribromophenoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 70416011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).