N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

C18H21BrN4O — CID 109154746

IUPACN-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(Br)cc3)cn2)CC1
InChIInChI=1S/C18H21BrN4O/c1-2-22-9-11-23(12-10-22)17-8-3-14(13-20-17)18(24)21-16-6-4-15(19)5-7-16/h3-8,13H,2,9-12H2,1H3,(H,21,24)
InChIKeySWNBXESWEBGMNJ-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.24
Rot. Bonds4

About N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109154746) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109154746
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC NameN-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(Br)cc3)cn2)CC1
InChIInChI=1S/C18H21BrN4O/c1-2-22-9-11-23(12-10-22)17-8-3-14(13-20-17)18(24)21-16-6-4-15(19)5-7-16/h3-8,13H,2,9-12H2,1H3,(H,21,24)
InChIKeySWNBXESWEBGMNJ-UHFFFAOYSA-N
XLogP3.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154758
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133486045
N-(2-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154747
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133453663
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254269
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342811
4-bromobenzoic acid;4-bromo-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide;ethane;6-(4-methylpiperazin-1-yl)pyridin-3-amine
CID 158371704

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (CID 109154746) is N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3ccc(Br)cc3)cn2)CC1.
What is the InChIKey of N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is SWNBXESWEBGMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-2-22-9-11-23(12-10-22)17-8-3-14(13-20-17)18(24)21-16-6-4-15(19)5-7-16/h3-8,13H,2,9-12H2,1H3,(H,21,24).
What are the key properties of N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 389.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109154746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).