N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C17H19BrN4O — CID 109186568

IUPACN-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccccc3Br)nc2)CC1
InChIInChI=1S/C17H19BrN4O/c1-21-8-10-22(11-9-21)13-6-7-16(19-12-13)17(23)20-15-5-3-2-4-14(15)18/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyMOZQDKDOQCMUHD-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.85
Rot. Bonds3

About N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109186568) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109186568
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ccccc3Br)nc2)CC1
InChIInChI=1S/C17H19BrN4O/c1-21-8-10-22(11-9-21)13-6-7-16(19-12-13)17(23)20-15-5-3-2-4-14(15)18/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyMOZQDKDOQCMUHD-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182869
N-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253961
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535517
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
5-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109186547
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
N-(2-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183519
N-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365217
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109194366
N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186512

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 109186568) is N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CN1CCN(c2ccc(C(=O)Nc3ccccc3Br)nc2)CC1.
What is the InChIKey of N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is MOZQDKDOQCMUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c1-21-8-10-22(11-9-21)13-6-7-16(19-12-13)17(23)20-15-5-3-2-4-14(15)18/h2-7,12H,8-11H2,1H3,(H,20,23).
What are the key properties of N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109186568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).