N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C17H19Cl2N5O — CID 51168041

IUPACN-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H19Cl2N5O/c1-12(16(25)22-14-5-2-4-13(18)15(14)19)23-8-10-24(11-9-23)17-20-6-3-7-21-17/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyOLKBKJCLWSZHAG-UHFFFAOYSA-N
MW380.28 g/mol
LogP2.93
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 51168041) has the molecular formula C17H19Cl2N5O and a molecular weight of 380.28 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID51168041
Molecular FormulaC17H19Cl2N5O
Molecular Weight380.28 g/mol
Exact Mass379.10
IUPAC NameN-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H19Cl2N5O/c1-12(16(25)22-14-5-2-4-13(18)15(14)19)23-8-10-24(11-9-23)17-20-6-3-7-21-17/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyOLKBKJCLWSZHAG-UHFFFAOYSA-N
XLogP2.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445447
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445495
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969614
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 42912049
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 8023118
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 51168041) is N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is CC(C(=O)Nc1cccc(Cl)c1Cl)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is OLKBKJCLWSZHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O/c1-12(16(25)22-14-5-2-4-13(18)15(14)19)23-8-10-24(11-9-23)17-20-6-3-7-21-17/h2-7,12H,8-11H2,1H3,(H,22,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 380.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 51168041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).