[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C17H19BrN4O — CID 109208197

IUPAC[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Nc3cccc(Br)c3)ccn2)CC1
InChIInChI=1S/C17H19BrN4O/c1-21-7-9-22(10-8-21)17(23)16-12-15(5-6-19-16)20-14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3,(H,19,20)
InChIKeyZLWZQWSVCZTCJB-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.98
Rot. Bonds3

About [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109208197) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109208197
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC Name[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Nc3cccc(Br)c3)ccn2)CC1
InChIInChI=1S/C17H19BrN4O/c1-21-7-9-22(10-8-21)17(23)16-12-15(5-6-19-16)20-14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3,(H,19,20)
InChIKeyZLWZQWSVCZTCJB-UHFFFAOYSA-N
XLogP2.98
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)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

[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
[4-(3,5-dimethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208134
[4-(3-methoxyanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208164
[2-(3-bromoanilino)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109168528
1-[4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209061
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
ethyl 4-[4-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109215913
[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203769
methyl 3-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208822
azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone
CID 109218603
[2-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298556
[4-(4-bromo-2-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203773

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109208197) is [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(Nc3cccc(Br)c3)ccn2)CC1.
What is the InChIKey of [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZLWZQWSVCZTCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-21-7-9-22(10-8-21)17(23)16-12-15(5-6-19-16)20-14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3,(H,19,20).
What are the key properties of [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 375.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromoanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).