2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C16H19ClN6O — CID 56812401

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCN(CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(Cl)cn1
InChIInChI=1S/C16H19ClN6O/c1-21(14-3-2-13(17)10-20-14)12-16(24)23-8-6-22(7-9-23)15-11-18-4-5-19-15/h2-5,10-11H,6-9,12H2,1H3
InChIKeyUISISEVKSOCPAP-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.31
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 56812401) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID56812401
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESCN(CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(Cl)cn1
InChIInChI=1S/C16H19ClN6O/c1-21(14-3-2-13(17)10-20-14)12-16(24)23-8-6-22(7-9-23)15-11-18-4-5-19-15/h2-5,10-11H,6-9,12H2,1H3
InChIKeyUISISEVKSOCPAP-UHFFFAOYSA-N
XLogP1.31
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 56812401) is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is CN(CC(=O)N1CCN(c2cnccn2)CC1)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is UISISEVKSOCPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-21(14-3-2-13(17)10-20-14)12-16(24)23-8-6-22(7-9-23)15-11-18-4-5-19-15/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 346.82 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56812401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).