1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone

C13H19ClN4O — CID 62893195

IUPAC1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCNc1ccc(Cl)c(CN2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-10(19)18-7-5-17(6-8-18)9-12-11(14)3-4-13(15-2)16-12/h3-4H,5-9H2,1-2H3,(H,15,16)
InChIKeyGWHDCMRYHFCXLZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.44
Rot. Bonds3

About 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone

1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone (PubChem CID 62893195) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
PubChem CID62893195
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCNc1ccc(Cl)c(CN2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H19ClN4O/c1-10(19)18-7-5-17(6-8-18)9-12-11(14)3-4-13(15-2)16-12/h3-4H,5-9H2,1-2H3,(H,15,16)
InChIKeyGWHDCMRYHFCXLZ-UHFFFAOYSA-N
XLogP1.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]-4-ethylpiperazine-2,3-dione
CID 62892416
5-chloro-6-[(3,5-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62890938
1-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 55127356
5-chloro-N-ethyl-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]pyridin-2-amine
CID 55127587
5-chloro-6-[(2,4-dimethylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 62892235
5-chloro-6-[(4-methyl-1,4-diazepan-1-yl)methyl]-N-propylpyridin-2-amine
CID 62890593
1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62463955
5-chloro-6-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-methylpyridin-2-amine
CID 62887378
5-chloro-6-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62892502
5-chloro-6-(methoxymethyl)-N-methylpyridin-2-amine
CID 62886675
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol
CID 107408618

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone (CID 62893195) is 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone is CNc1ccc(Cl)c(CN2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is GWHDCMRYHFCXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-10(19)18-7-5-17(6-8-18)9-12-11(14)3-4-13(15-2)16-12/h3-4H,5-9H2,1-2H3,(H,15,16).
What are the key properties of 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 282.77 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-chloro-6-(methylamino)-2-pyridinyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 62893195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).