2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

C18H21ClN4O — CID 17444414

IUPAC2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C18H21ClN4O/c1-22-8-10-23(11-9-22)17-7-6-16(13-20-17)21-18(24)12-14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3,(H,21,24)
InChIKeyGBPUWVRNOSGLOZ-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 17444414) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID17444414
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C18H21ClN4O/c1-22-8-10-23(11-9-22)17-7-6-16(13-20-17)21-18(24)12-14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3,(H,21,24)
InChIKeyGBPUWVRNOSGLOZ-UHFFFAOYSA-N
XLogP2.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
2-(4-chlorophenyl)-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014067
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46053238
2-(4-chlorophenoxy)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 17459411
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 25396665
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382
1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
CID 78833294
3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126723
2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 111536468

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (CID 17444414) is 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is CN1CCN(c2ccc(NC(=O)Cc3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is GBPUWVRNOSGLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-22-8-10-23(11-9-22)17-7-6-16(13-20-17)21-18(24)12-14-2-4-15(19)5-3-14/h2-7,13H,8-12H2,1H3,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 344.85 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 17444414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).