5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

C18H18BrClN4O2 — CID 54858817

IUPAC5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cncc(Br)c3)c2)CC1
InChIInChI=1S/C18H18BrClN4O2/c1-23-4-6-24(7-5-23)18(26)12-2-3-15(20)16(9-12)22-17(25)13-8-14(19)11-21-10-13/h2-3,8-11H,4-7H2,1H3,(H,22,25)
InChIKeyRILYJAIJRHJCDR-UHFFFAOYSA-N
MW437.73 g/mol
LogP3.14
Rot. Bonds3

About 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 54858817) has the molecular formula C18H18BrClN4O2 and a molecular weight of 437.73 g/mol. Its IUPAC name is 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID54858817
Molecular FormulaC18H18BrClN4O2
Molecular Weight437.73 g/mol
Exact Mass436.03
IUPAC Name5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cncc(Br)c3)c2)CC1
InChIInChI=1S/C18H18BrClN4O2/c1-23-4-6-24(7-5-23)18(26)12-2-3-15(20)16(9-12)22-17(25)13-8-14(19)11-21-10-13/h2-3,8-11H,4-7H2,1H3,(H,22,25)
InChIKeyRILYJAIJRHJCDR-UHFFFAOYSA-N
XLogP3.14
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide 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

3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
CID 28675243
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104479
N-(2,5-dichlorophenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102983
5-(4-methylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109104467
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
(E)-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 54858889
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
(4-chloro-3-fluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 103875464
N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096766
N-(3,4-difluorophenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104531

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 54858817) is 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is CN1CCN(C(=O)c2ccc(Cl)c(NC(=O)c3cncc(Br)c3)c2)CC1.
What is the InChIKey of 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is RILYJAIJRHJCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN4O2/c1-23-4-6-24(7-5-23)18(26)12-2-3-15(20)16(9-12)22-17(25)13-8-14(19)11-21-10-13/h2-3,8-11H,4-7H2,1H3,(H,22,25).
What are the key properties of 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 437.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 54858817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).