(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C17H19Cl2N5O — CID 9445447

IUPAC(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H19Cl2N5O/c1-12(16(25)22-15-13(18)4-2-5-14(15)19)23-8-10-24(11-9-23)17-20-6-3-7-21-17/h2-7,12H,8-11H2,1H3,(H,22,25)/t12-/m1/s1
InChIKeyJAEKAWBOROOFHU-GFCCVEGCSA-N
MW380.28 g/mol
LogP2.93
Rot. Bonds4

About (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 9445447) has the molecular formula C17H19Cl2N5O and a molecular weight of 380.28 g/mol. Its IUPAC name is (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID9445447
Molecular FormulaC17H19Cl2N5O
Molecular Weight380.28 g/mol
Exact Mass379.10
IUPAC Name(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H19Cl2N5O/c1-12(16(25)22-15-13(18)4-2-5-14(15)19)23-8-10-24(11-9-23)17-20-6-3-7-21-17/h2-7,12H,8-11H2,1H3,(H,22,25)/t12-/m1/s1
InChIKeyJAEKAWBOROOFHU-GFCCVEGCSA-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

Analyze (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide 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

(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168041
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777
(2S)-N-(2-chloro-3-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445495
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430308
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 42912049
N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044
(2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 8023118
(2S)-N-(2,6-dichlorophenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propanamide
CID 31482613

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 9445447) is (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is C[C@H](C(=O)Nc1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is JAEKAWBOROOFHU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19Cl2N5O/c1-12(16(25)22-15-13(18)4-2-5-14(15)19)23-8-10-24(11-9-23)17-20-6-3-7-21-17/h2-7,12H,8-11H2,1H3,(H,22,25)/t12-/m1/s1.
What are the key properties of (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
(2R)-N-(2,6-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 (2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9445447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).