4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide

C19H22BrClN4O — CID 154751326

IUPAC4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c(Br)c1Cl
InChIInChI=1S/C19H22BrClN4O/c1-13-18(21)17(20)16(11-22-13)19(26)23-15-5-3-14(4-6-15)12-25-9-7-24(2)8-10-25/h3-6,11H,7-10,12H2,1-2H3,(H,23,26)
InChIKeyZOISKZKYTXSGIO-UHFFFAOYSA-N
MW437.77 g/mol
LogP3.81
Rot. Bonds4

About 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide

4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 154751326) has the molecular formula C19H22BrClN4O and a molecular weight of 437.77 g/mol. Its IUPAC name is 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID154751326
Molecular FormulaC19H22BrClN4O
Molecular Weight437.77 g/mol
Exact Mass436.07
IUPAC Name4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c(Br)c1Cl
InChIInChI=1S/C19H22BrClN4O/c1-13-18(21)17(20)16(11-22-13)19(26)23-15-5-3-14(4-6-15)12-25-9-7-24(2)8-10-25/h3-6,11H,7-10,12H2,1-2H3,(H,23,26)
InChIKeyZOISKZKYTXSGIO-UHFFFAOYSA-N
XLogP3.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]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

5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
CID 108802554
4-(dimethylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743672
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55762515
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087
2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
CID 106685912

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 154751326) is 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is Cc1ncc(C(=O)Nc2ccc(CN3CCN(C)CC3)cc2)c(Br)c1Cl.
What is the InChIKey of 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZOISKZKYTXSGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN4O/c1-13-18(21)17(20)16(11-22-13)19(26)23-15-5-3-14(4-6-15)12-25-9-7-24(2)8-10-25/h3-6,11H,7-10,12H2,1-2H3,(H,23,26).
What are the key properties of 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 437.77 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 154751326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).