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

C22H24ClN5O3 — CID 53326648

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O
InChIInChI=1S/C22H24ClN5O3/c1-15-12-27-21(25-10-8-18-5-3-4-9-24-18)22(30)28(15)14-20(29)26-13-16-11-17(23)6-7-19(16)31-2/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyUULSIAGKVPYVIH-UHFFFAOYSA-N
MW441.92 g/mol
LogP2.58
Rot. Bonds9

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

N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (PubChem CID 53326648) has the molecular formula C22H24ClN5O3 and a molecular weight of 441.92 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
PubChem CID53326648
Molecular FormulaC22H24ClN5O3
Molecular Weight441.92 g/mol
Exact Mass441.16
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O
InChIInChI=1S/C22H24ClN5O3/c1-15-12-27-21(25-10-8-18-5-3-4-9-24-18)22(30)28(15)14-20(29)26-13-16-11-17(23)6-7-19(16)31-2/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyUULSIAGKVPYVIH-UHFFFAOYSA-N
XLogP2.58
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (CID 53326648) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is UULSIAGKVPYVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O3/c1-15-12-27-21(25-10-8-18-5-3-4-9-24-18)22(30)28(15)14-20(29)26-13-16-11-17(23)6-7-19(16)31-2/h3-7,9,11-12H,8,10,13-14H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 441.92 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 53326648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).