N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

C21H21Cl2N5O2 — CID 53326281

IUPACN-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H21Cl2N5O2/c1-14-11-27-20(25-9-7-17-4-2-3-8-24-17)21(30)28(14)13-19(29)26-12-15-10-16(22)5-6-18(15)23/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,25,27)(H,26,29)
InChIKeyRJTCCTFJKGHFMD-UHFFFAOYSA-N
MW446.34 g/mol
LogP3.22
Rot. Bonds8

About N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (PubChem CID 53326281) has the molecular formula C21H21Cl2N5O2 and a molecular weight of 446.34 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
PubChem CID53326281
Molecular FormulaC21H21Cl2N5O2
Molecular Weight446.34 g/mol
Exact Mass445.11
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C21H21Cl2N5O2/c1-14-11-27-20(25-9-7-17-4-2-3-8-24-17)21(30)28(14)13-19(29)26-12-15-10-16(22)5-6-18(15)23/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,25,27)(H,26,29)
InChIKeyRJTCCTFJKGHFMD-UHFFFAOYSA-N
XLogP3.22
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (CID 53326281) is N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is RJTCCTFJKGHFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2/c1-14-11-27-20(25-9-7-17-4-2-3-8-24-17)21(30)28(14)13-19(29)26-12-15-10-16(22)5-6-18(15)23/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 446.34 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 53326281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).