6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide

C21H24BrN3O3 — CID 55806412

IUPAC6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCCC1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C21H24BrN3O3/c22-17-7-4-8-18(13-17)28-19-10-9-16(14-25-19)21(27)24-12-11-23-20(26)15-5-2-1-3-6-15/h4,7-10,13-15H,1-3,5-6,11-12H2,(H,23,26)(H,24,27)
InChIKeyIYCGSWREWSVCSY-UHFFFAOYSA-N
MW446.35 g/mol
LogP4.06
Rot. Bonds7

About 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide

6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide (PubChem CID 55806412) has the molecular formula C21H24BrN3O3 and a molecular weight of 446.35 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
PubChem CID55806412
Molecular FormulaC21H24BrN3O3
Molecular Weight446.35 g/mol
Exact Mass445.10
IUPAC Name6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCCC1)c1ccc(Oc2cccc(Br)c2)nc1
InChIInChI=1S/C21H24BrN3O3/c22-17-7-4-8-18(13-17)28-19-10-9-16(14-25-19)21(27)24-12-11-23-20(26)15-5-2-1-3-6-15/h4,7-10,13-15H,1-3,5-6,11-12H2,(H,23,26)(H,24,27)
InChIKeyIYCGSWREWSVCSY-UHFFFAOYSA-N
XLogP4.06
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-bromophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513174
6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 46487926
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427630
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119427629
6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60526548
N-benzyl-1-[6-(3-bromophenoxy)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 46458174
6-(3-bromophenoxy)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 55814280
6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55706775
6-(3-bromophenoxy)-N-[2-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46486838
N-(1-amino-2-cyclopropylpropan-2-yl)-6-(3-bromophenoxy)pyridine-3-carboxamide;dihydrochloride
CID 119574786
6-(3-bromophenoxy)-N'-(2-chlorobenzoyl)pyridine-3-carbohydrazide
CID 55706653

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide (CID 55806412) is 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)C1CCCCC1)c1ccc(Oc2cccc(Br)c2)nc1.
What is the InChIKey of 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is IYCGSWREWSVCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O3/c22-17-7-4-8-18(13-17)28-19-10-9-16(14-25-19)21(27)24-12-11-23-20(26)15-5-2-1-3-6-15/h4,7-10,13-15H,1-3,5-6,11-12H2,(H,23,26)(H,24,27).
What are the key properties of 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 446.35 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55806412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).