2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

C26H29ClN6O4 — CID 70202953

IUPAC2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCC(=O)NCc1cc(Cl)ccc1OC(C(=O)Nn1c(C)cnc(NCCc2ccccn2)c1=O)C1CC1
InChIInChI=1S/C26H29ClN6O4/c1-16-14-31-24(29-12-10-21-5-3-4-11-28-21)26(36)33(16)32-25(35)23(18-6-7-18)37-22-9-8-20(27)13-19(22)15-30-17(2)34/h3-5,8-9,11,13-14,18,23H,6-7,10,12,15H2,1-2H3,(H,29,31)(H,30,34)(H,32,35)
InChIKeyPSXGUADZCARFHT-UHFFFAOYSA-N
MW525.01 g/mol
LogP2.82
Rot. Bonds11

About 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (PubChem CID 70202953) has the molecular formula C26H29ClN6O4 and a molecular weight of 525.01 g/mol. Its IUPAC name is 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
PubChem CID70202953
Molecular FormulaC26H29ClN6O4
Molecular Weight525.01 g/mol
Exact Mass524.19
IUPAC Name2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCC(=O)NCc1cc(Cl)ccc1OC(C(=O)Nn1c(C)cnc(NCCc2ccccn2)c1=O)C1CC1
InChIInChI=1S/C26H29ClN6O4/c1-16-14-31-24(29-12-10-21-5-3-4-11-28-21)26(36)33(16)32-25(35)23(18-6-7-18)37-22-9-8-20(27)13-19(22)15-30-17(2)34/h3-5,8-9,11,13-14,18,23H,6-7,10,12,15H2,1-2H3,(H,29,31)(H,30,34)(H,32,35)
InChIKeyPSXGUADZCARFHT-UHFFFAOYSA-N
XLogP2.82
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.01
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (CID 70202953) is 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is CC(=O)NCc1cc(Cl)ccc1OC(C(=O)Nn1c(C)cnc(NCCc2ccccn2)c1=O)C1CC1.
What is the InChIKey of 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is PSXGUADZCARFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O4/c1-16-14-31-24(29-12-10-21-5-3-4-11-28-21)26(36)33(16)32-25(35)23(18-6-7-18)37-22-9-8-20(27)13-19(22)15-30-17(2)34/h3-5,8-9,11,13-14,18,23H,6-7,10,12,15H2,1-2H3,(H,29,31)(H,30,34)(H,32,35).
What are the key properties of 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 525.01 g/mol, XLogP of 2.82, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(acetamidomethyl)-4-chlorophenoxy]-2-cyclopropyl-N-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 70202953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).