(5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone

C18H21BrN4O2 — CID 58207524

IUPAC(5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCc1ncc(Br)cc1C(=O)c1cccc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C18H21BrN4O2/c1-13-15(11-14(19)12-20-13)18(25)16-3-2-4-17(21-16)23-7-5-22(6-8-23)9-10-24/h2-4,11-12,24H,5-10H2,1H3
InChIKeyJEHAFBFXSYYYTK-UHFFFAOYSA-N
MW405.30 g/mol
LogP1.89
Rot. Bonds5

About (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone

(5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 58207524) has the molecular formula C18H21BrN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone
PubChem CID58207524
Molecular FormulaC18H21BrN4O2
Molecular Weight405.30 g/mol
Exact Mass404.08
IUPAC Name(5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESCc1ncc(Br)cc1C(=O)c1cccc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C18H21BrN4O2/c1-13-15(11-14(19)12-20-13)18(25)16-3-2-4-17(21-16)23-7-5-22(6-8-23)9-10-24/h2-4,11-12,24H,5-10H2,1H3
InChIKeyJEHAFBFXSYYYTK-UHFFFAOYSA-N
XLogP1.89
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-3-pyridinyl)-[6-[4-(3,3-dimethylbutyl)-1,4-diazepan-1-yl]-2-pyridinyl]methanone
CID 67738912
5-bromo-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 107223341
(5-bromo-3-pyridinyl)-[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanone
CID 67738847
CID 89188344
CID 89188344
[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]methanone
CID 58207392
[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 159888989
[6-(1,4-diazepan-1-yl)-2-pyridinyl]-[5-(3-hydroxyphenyl)-2-methyl-3-pyridinyl]methanone
CID 58207495
(2-methyl-5-phenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone
CID 58207561
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
[5-(cyclohexen-1-yl)-2-methyl-3-pyridinyl]-[6-(1,4-diazepan-1-yl)-2-pyridinyl]methanone
CID 58207416
tert-butyl 4-[6-(5-bromopyridine-3-carbonyl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 67738443
[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 58207469

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone (CID 58207524) is (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone is Cc1ncc(Br)cc1C(=O)c1cccc(N2CCN(CCO)CC2)n1.
What is the InChIKey of (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is JEHAFBFXSYYYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2/c1-13-15(11-14(19)12-20-13)18(25)16-3-2-4-17(21-16)23-7-5-22(6-8-23)9-10-24/h2-4,11-12,24H,5-10H2,1H3.
What are the key properties of (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone?
(5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 405.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methyl-3-pyridinyl)-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 58207524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).