6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide

C21H27BrN4O2 — CID 60526548

IUPAC6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1
InChIInChI=1S/C21H27BrN4O2/c1-2-25-11-13-26(14-12-25)10-4-9-23-21(27)17-7-8-20(24-16-17)28-19-6-3-5-18(22)15-19/h3,5-8,15-16H,2,4,9-14H2,1H3,(H,23,27)
InChIKeyWRMKWWKWOMDBHZ-UHFFFAOYSA-N
MW447.38 g/mol
LogP3.39
Rot. Bonds8

About 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide

6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 60526548) has the molecular formula C21H27BrN4O2 and a molecular weight of 447.38 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID60526548
Molecular FormulaC21H27BrN4O2
Molecular Weight447.38 g/mol
Exact Mass446.13
IUPAC Name6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide
SMILESCCN1CCN(CCCNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1
InChIInChI=1S/C21H27BrN4O2/c1-2-25-11-13-26(14-12-25)10-4-9-23-21(27)17-7-8-20(24-16-17)28-19-6-3-5-18(22)15-19/h3,5-8,15-16H,2,4,9-14H2,1H3,(H,23,27)
InChIKeyWRMKWWKWOMDBHZ-UHFFFAOYSA-N
XLogP3.39
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(3-bromophenoxy)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 46487926
6-(3-bromophenoxy)-N-[2-(cyclohexanecarbonylamino)ethyl]pyridine-3-carboxamide
CID 55806412
6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 55792268
6-(3-bromophenoxy)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55706775
6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55946355
6-(3-bromophenoxy)-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
CID 78887929
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
6-(3-bromophenoxy)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 46459917
6-(3-bromophenoxy)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 55699313
6-(3-bromophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513174
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide (CID 60526548) is 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide is CCN1CCN(CCCNC(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1.
What is the InChIKey of 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is WRMKWWKWOMDBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN4O2/c1-2-25-11-13-26(14-12-25)10-4-9-23-21(27)17-7-8-20(24-16-17)28-19-6-3-5-18(22)15-19/h3,5-8,15-16H,2,4,9-14H2,1H3,(H,23,27).
What are the key properties of 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide?
6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 447.38 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-[3-(4-ethylpiperazin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 60526548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).