2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide

C24H33ClN4O3 — CID 58812493

IUPAC2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2c(Cl)nc(NCCC3CCCCC3)c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C24H33ClN4O3/c1-16(2)27-20(30)15-29-21(18-10-7-11-19(14-18)32-3)22(25)28-23(24(29)31)26-13-12-17-8-5-4-6-9-17/h7,10-11,14,16-17H,4-6,8-9,12-13,15H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyMFSRCMFVJVHZER-UHFFFAOYSA-N
MW461.01 g/mol
LogP4.48
Rot. Bonds9

About 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide

2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 58812493) has the molecular formula C24H33ClN4O3 and a molecular weight of 461.01 g/mol. Its IUPAC name is 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide
PubChem CID58812493
Molecular FormulaC24H33ClN4O3
Molecular Weight461.01 g/mol
Exact Mass460.22
IUPAC Name2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2c(Cl)nc(NCCC3CCCCC3)c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C24H33ClN4O3/c1-16(2)27-20(30)15-29-21(18-10-7-11-19(14-18)32-3)22(25)28-23(24(29)31)26-13-12-17-8-5-4-6-9-17/h7,10-11,14,16-17H,4-6,8-9,12-13,15H2,1-3H3,(H,26,28)(H,27,30)
InChIKeyMFSRCMFVJVHZER-UHFFFAOYSA-N
XLogP4.48
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide (CID 58812493) is 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide is COc1cccc(-c2c(Cl)nc(NCCC3CCCCC3)c(=O)n2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MFSRCMFVJVHZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O3/c1-16(2)27-20(30)15-29-21(18-10-7-11-19(14-18)32-3)22(25)28-23(24(29)31)26-13-12-17-8-5-4-6-9-17/h7,10-11,14,16-17H,4-6,8-9,12-13,15H2,1-3H3,(H,26,28)(H,27,30).
What are the key properties of 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide?
2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 461.01 g/mol, XLogP of 4.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 58812493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).