N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide

C18H20Cl2N4O — CID 120754693

IUPACN-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCNCC1c1cccnc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N4O/c19-14-3-4-15(20)16(10-14)23-18(25)5-8-24-9-7-22-12-17(24)13-2-1-6-21-11-13/h1-4,6,10-11,17,22H,5,7-9,12H2,(H,23,25)
InChIKeyZJRTUWREZDJYFY-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.36
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide

N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide (PubChem CID 120754693) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
PubChem CID120754693
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC NameN-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCNCC1c1cccnc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H20Cl2N4O/c19-14-3-4-15(20)16(10-14)23-18(25)5-8-24-9-7-22-12-17(24)13-2-1-6-21-11-13/h1-4,6,10-11,17,22H,5,7-9,12H2,(H,23,25)
InChIKeyZJRTUWREZDJYFY-UHFFFAOYSA-N
XLogP3.36
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755163
N-(4-chloro-2-methylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755860
N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
N-(2-chloro-4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754763
N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119916621
N-(2,3-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754934
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
1-[2-(2,5-dichlorophenoxy)ethyl]-2-pyridin-3-ylpiperazine
CID 120756020
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
N-(2-bromophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754684
N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704869

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide (CID 120754693) is N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide is O=C(CCN1CCNCC1c1cccnc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide?
The InChIKey is ZJRTUWREZDJYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c19-14-3-4-15(20)16(10-14)23-18(25)5-8-24-9-7-22-12-17(24)13-2-1-6-21-11-13/h1-4,6,10-11,17,22H,5,7-9,12H2,(H,23,25).
What are the key properties of N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide?
N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide has a molecular weight of 379.29 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-(2-pyridin-3-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 120754693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).