N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C12H16Cl2N4O — CID 82755103

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N4O/c1-8-5-15-2-3-18(8)7-11(19)17-12-10(14)4-9(13)6-16-12/h4,6,8,15H,2-3,5,7H2,1H3,(H,16,17,19)/t8-/m0/s1
InChIKeyASPFONZEBKUPGP-QMMMGPOBSA-N
MW303.19 g/mol
LogP1.62
Rot. Bonds3

About N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82755103) has the molecular formula C12H16Cl2N4O and a molecular weight of 303.19 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82755103
Molecular FormulaC12H16Cl2N4O
Molecular Weight303.19 g/mol
Exact Mass302.07
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N4O/c1-8-5-15-2-3-18(8)7-11(19)17-12-10(14)4-9(13)6-16-12/h4,6,8,15H,2-3,5,7H2,1H3,(H,16,17,19)/t8-/m0/s1
InChIKeyASPFONZEBKUPGP-QMMMGPOBSA-N
XLogP1.62
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704869
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704766
N-(5-bromo-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704950
N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 115316860
2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8538810
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
N-(3,5-dichloro-2-pyridinyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468508
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115966875

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82755103) is N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is C[C@H]1CNCCN1CC(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is ASPFONZEBKUPGP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16Cl2N4O/c1-8-5-15-2-3-18(8)7-11(19)17-12-10(14)4-9(13)6-16-12/h4,6,8,15H,2-3,5,7H2,1H3,(H,16,17,19)/t8-/m0/s1.
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 303.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82755103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).