6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one

C22H25Cl2N5O — CID 70336650

IUPAC6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
SMILESCc1c(Cl)cccc1CCNCCn1c(Cl)cnc(NCCc2ccccn2)c1=O
InChIInChI=1S/C22H25Cl2N5O/c1-16-17(5-4-7-19(16)23)8-11-25-13-14-29-20(24)15-28-21(22(29)30)27-12-9-18-6-2-3-10-26-18/h2-7,10,15,25H,8-9,11-14H2,1H3,(H,27,28)
InChIKeyFTUOPSAIOWZQPI-UHFFFAOYSA-N
MW446.38 g/mol
LogP3.74
Rot. Bonds10

About 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one

6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one (PubChem CID 70336650) has the molecular formula C22H25Cl2N5O and a molecular weight of 446.38 g/mol. Its IUPAC name is 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
PubChem CID70336650
Molecular FormulaC22H25Cl2N5O
Molecular Weight446.38 g/mol
Exact Mass445.14
IUPAC Name6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
SMILESCc1c(Cl)cccc1CCNCCn1c(Cl)cnc(NCCc2ccccn2)c1=O
InChIInChI=1S/C22H25Cl2N5O/c1-16-17(5-4-7-19(16)23)8-11-25-13-14-29-20(24)15-28-21(22(29)30)27-12-9-18-6-2-3-10-26-18/h2-7,10,15,25H,8-9,11-14H2,1H3,(H,27,28)
InChIKeyFTUOPSAIOWZQPI-UHFFFAOYSA-N
XLogP3.74
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-[2-[[3-(3-chlorophenyl)phenyl]methylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 11363911
6-chloro-1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one;2-[6-chloro-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]ethyl methanesulfonate
CID 161315420
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 83168922
N-(2-chlorophenyl)-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579213
3-(3-chlorophenyl)-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]propanamide
CID 70197482
1-[2-[(3-chlorophenyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
CID 58869659
1-(2-hydroxyethyl)-3-(2-pyridin-2-ylethylamino)pyrazin-2-one
CID 58869665
2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 70066915
2-chloro-3-(2-pyridin-2-ylethylamino)naphthalene-1,4-dione
CID 142721290
1-[2-[(6-amino-2-methyl-3-pyridinyl)methylamino]ethyl]-6-methyl-3-[2-(pyridin-2-ylamino)ethylamino]pyrazin-2-one
CID 58869625
3,5-dichloro-2-N-ethyl-6-N-(2-pyridin-2-ylethyl)pyridine-2,6-diamine
CID 102755416

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?
The IUPAC name of 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one (CID 70336650) is 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?
The canonical SMILES for 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one is Cc1c(Cl)cccc1CCNCCn1c(Cl)cnc(NCCc2ccccn2)c1=O.
What is the InChIKey of 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?
The InChIKey is FTUOPSAIOWZQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O/c1-16-17(5-4-7-19(16)23)8-11-25-13-14-29-20(24)15-28-21(22(29)30)27-12-9-18-6-2-3-10-26-18/h2-7,10,15,25H,8-9,11-14H2,1H3,(H,27,28).
What are the key properties of 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one?
6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one has a molecular weight of 446.38 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-[2-(3-chloro-2-methylphenyl)ethylamino]ethyl]-3-(2-pyridin-2-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 70336650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).