N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide

C13H19ClN4O — CID 4692251

IUPACN-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-2-17-5-7-18(8-6-17)10-13(19)16-12-4-3-11(14)9-15-12/h3-4,9H,2,5-8,10H2,1H3,(H,15,16,19)
InChIKeyIXIKQCBCQCODHK-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.31
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide

N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 4692251) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID4692251
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-2-17-5-7-18(8-6-17)10-13(19)16-12-4-3-11(14)9-15-12/h3-4,9H,2,5-8,10H2,1H3,(H,15,16,19)
InChIKeyIXIKQCBCQCODHK-UHFFFAOYSA-N
XLogP1.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066612
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282
N-(5-chloro-2-pyridinyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467673
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 17270594
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595
2-(4-benzoyl-1,4-diazepan-1-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 86923565
N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide (CID 4692251) is N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is IXIKQCBCQCODHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-2-17-5-7-18(8-6-17)10-13(19)16-12-4-3-11(14)9-15-12/h3-4,9H,2,5-8,10H2,1H3,(H,15,16,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide?
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4692251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).