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

C17H18Cl2N4O — CID 109186586

IUPACN-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)nc2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-22-6-8-23(9-7-22)13-3-5-15(20-11-13)17(24)21-16-10-12(18)2-4-14(16)19/h2-5,10-11H,6-9H2,1H3,(H,21,24)
InChIKeyGTIZGIYHIZSPND-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.39
Rot. Bonds3

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

N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109186586) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109186586
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)nc2)CC1
InChIInChI=1S/C17H18Cl2N4O/c1-22-6-8-23(9-7-22)13-3-5-15(20-11-13)17(24)21-16-10-12(18)2-4-14(16)19/h2-5,10-11H,6-9H2,1H3,(H,21,24)
InChIKeyGTIZGIYHIZSPND-UHFFFAOYSA-N
XLogP3.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278402
4-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109209263
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
N-(2,5-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208689
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 134535517
N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096766
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183554

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 109186586) is N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CN1CCN(c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)nc2)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is GTIZGIYHIZSPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c1-22-6-8-23(9-7-22)13-3-5-15(20-11-13)17(24)21-16-10-12(18)2-4-14(16)19/h2-5,10-11H,6-9H2,1H3,(H,21,24).
What are the key properties of N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109186586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).