N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide

C20H25ClN4O — CID 177383040

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCN1CCN(C(C(=O)NCCc2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-24-11-13-25(14-12-24)19(17-3-2-9-22-15-17)20(26)23-10-8-16-4-6-18(21)7-5-16/h2-7,9,15,19H,8,10-14H2,1H3,(H,23,26)
InChIKeyAGGLVRRXRHFAJT-UHFFFAOYSA-N
MW372.90 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (PubChem CID 177383040) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
PubChem CID177383040
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
SMILESCN1CCN(C(C(=O)NCCc2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-24-11-13-25(14-12-24)19(17-3-2-9-22-15-17)20(26)23-10-8-16-4-6-18(21)7-5-16/h2-7,9,15,19H,8,10-14H2,1H3,(H,23,26)
InChIKeyAGGLVRRXRHFAJT-UHFFFAOYSA-N
XLogP2.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
1-(4-methylpiperazin-1-yl)-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 167684149
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
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(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
(2S)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97200310
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
N-[2-(2-chloro-6-methylphenoxy)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 74240297
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide
CID 51631275
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 136861472
N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide (CID 177383040) is N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is CN1CCN(C(C(=O)NCCc2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
The InChIKey is AGGLVRRXRHFAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-24-11-13-25(14-12-24)19(17-3-2-9-22-15-17)20(26)23-10-8-16-4-6-18(21)7-5-16/h2-7,9,15,19H,8,10-14H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide has a molecular weight of 372.90 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 177383040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).