2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide

C18H15BrN2O4 — CID 78875469

IUPAC2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C18H15BrN2O4/c19-12-4-1-5-13(10-12)25-18-14(6-2-8-20-18)17(23)21-11-15(22)16-7-3-9-24-16/h1-10,15,22H,11H2,(H,21,23)
InChIKeyMOWZXLITFYGAFO-UHFFFAOYSA-N
MW403.23 g/mol
LogP3.69
Rot. Bonds6

About 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide

2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide (PubChem CID 78875469) has the molecular formula C18H15BrN2O4 and a molecular weight of 403.23 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide
PubChem CID78875469
Molecular FormulaC18H15BrN2O4
Molecular Weight403.23 g/mol
Exact Mass402.02
IUPAC Name2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cccnc1Oc1cccc(Br)c1
InChIInChI=1S/C18H15BrN2O4/c19-12-4-1-5-13(10-12)25-18-14(6-2-8-20-18)17(23)21-11-15(22)16-7-3-9-24-16/h1-10,15,22H,11H2,(H,21,23)
InChIKeyMOWZXLITFYGAFO-UHFFFAOYSA-N
XLogP3.69
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenoxy)-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 78883963
N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
CID 55919722
3-(3-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889052
2-(3-bromophenoxy)-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
CID 46490653
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 166208718
3-bromo-N-[4-[2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-oxoethyl]phenyl]benzamide
CID 78897431
2-[[2-(3-bromophenoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78884843
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 109399474
N-(2-anilino-2-oxoethyl)-2-(3-bromophenoxy)-N-methylpyridine-3-carboxamide
CID 46473407
3-(3-bromophenoxy)-2-(furan-2-yl)propanoic acid
CID 117241020
5-bromo-N-[2-(furan-2-yl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 110889015
2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide (CID 78875469) is 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide is O=C(NCC(O)c1ccco1)c1cccnc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide?
The InChIKey is MOWZXLITFYGAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O4/c19-12-4-1-5-13(10-12)25-18-14(6-2-8-20-18)17(23)21-11-15(22)16-7-3-9-24-16/h1-10,15,22H,11H2,(H,21,23).
What are the key properties of 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide?
2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide has a molecular weight of 403.23 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]pyridine-3-carboxamide is sourced from PubChem (CID 78875469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).